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

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Chemoinformaics analysis of PHYSOVENINE


Physiochemical Properties
Molecular Weight 262.309 nRot 1
Heavy Atom Molecular Weight 244.165 nRig 15
Exact Molecular Weight 262.132 nRing 3
Solubility: LogS -3.655 nHRing 2
Solubility: LogP 1.875 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 37 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 19 No. of Aromatic Carbocycles 1
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 1
No. of Carbon atom 14 No. of Saturated Rings 1
No. of Nitrogen atom 2 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 4 APOL 39.9883
nHD 1 BPOL 24.6777
Medicinal Chemistry Properties
QED 0.839
Synth 3.688
Natural Product Likeliness 1.098
NR-PPAR-gamma 0.008
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.024
Pgp-sub 0.356
HIA 0.038
CACO-2 -4.656
Distribution
MDCK 0.0000616
BBB 0.992
PPB 0.487581
VDSS 0.907
Metabolism
FU 0.552846
CYP1A2-inh 0.449
CYP1A2-sub 0.752
CYP2c19-inh 0.221
CYP2c19-sub 0.883
CYP2c9-inh 0.074
CYP2c9-sub 0.238
CYP2d6-inh 0.019
CYP2d6-sub 0.487
CYP3a4-inh 0.11
CYP3a4-sub 0.266
Excretion
CL 8.499
T12 0.611
Toxicity
hERG 0.024
Ames 0.629
ROA 0.88
SkinSen 0.747
Carcinogencity 0.532
EI 0.017
Respiratory 0.25
NR-Aromatase 0.296
Antiviral Prediction
Antiviral Yes
Prediction 0.657281
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)

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