OSADHI - Online Structural and Analytics based Database for Herbs of India

  • Home
  • About
  • Features
  • Search
    • Name
    • Therapeutics
    • Family
    • Phytochemicals
    • Natural Product Classes
  • Team
  • Contact

Chemoinformaics analysis of Teniposide


Physiochemical Properties
Molecular Weight 656.662 nRot 6
Heavy Atom Molecular Weight 624.406 nRig 42
Exact Molecular Weight 656.156 nRing 8
Solubility: LogS -4.014 nHRing 5
Solubility: LogP 2.421 No. of Aliphatic Rings 5
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 78 No. of Aliphatic Hetero Cycles 4
No. of Heavy Atom 46 No. of Aromatic Carbocycles 2
nHetero 14 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 32 No. of Saturated Hetero Cycles 3
No. of Carbon atom 32 No. of Saturated Rings 3
No. of Nitrogen atom 0 No. of Arom Atom 17
No. of Oxygen atom 13 No. of Arom Bond 17
nHA 14 APOL 88.1034
nHD 3 BPOL 51.0546
Medicinal Chemistry Properties
QED 0.333
Synth 5.002
Natural Product Likeliness 1.362
NR-PPAR-gamma 0.709
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.046
Pgp-sub 0.985
HIA 0.006
CACO-2 -5.694
Distribution
MDCK 0.0000473
BBB 0.009
PPB 0.973249
VDSS 0.44
Metabolism
FU 0.0121011
CYP1A2-inh 0.026
CYP1A2-sub 0.978
CYP2c19-inh 0.329
CYP2c19-sub 0.824
CYP2c9-inh 0.47
CYP2c9-sub 0.088
CYP2d6-inh 0.365
CYP2d6-sub 0.24
CYP3a4-inh 0.876
CYP3a4-sub 0.905
Excretion
CL 1.896
T12 0.094
Toxicity
hERG 0.092
Ames 0.947
ROA 0.088
SkinSen 0.299
Carcinogencity 0.091
EI 0.025
Respiratory 0.865
NR-Aromatase 0.666
Antiviral Prediction
Antiviral Yes
Prediction 0.921865
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

Our Other Tools

  • Molecular Property Diagnostic Suite (MPDS)
  • North East India Medicinal Plant Database (NEI-MPDB)
  • Aromatic–Aromatic Interactions Database (A2ID)
  • Cation Aromatic Database (CAD)

Useful Links

  • CSIR-NEIST
  • CSIR
  • More Links

© Copyrights CSIR-NEIST. All rights reserved.