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

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Chemoinformaics analysis of VINCAMININE


Physiochemical Properties
Molecular Weight 368.433 nRot 2
Heavy Atom Molecular Weight 344.241 nRig 25
Exact Molecular Weight 368.174 nRing 5
Solubility: LogS -2.913 nHRing 4
Solubility: LogP 2.06 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 51 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 27 No. of Aromatic Carbocycles 1
nHetero 6 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 24 No. of Saturated Hetero Cycles 1
No. of Carbon atom 21 No. of Saturated Rings 1
No. of Nitrogen atom 2 No. of Arom Atom 9
No. of Oxygen atom 4 No. of Arom Bond 10
nHA 6 APOL 56.481
nHD 1 BPOL 30.969
Medicinal Chemistry Properties
QED 0.823
Synth 4.036
Natural Product Likeliness 1.197
NR-PPAR-gamma 0.007
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.009
Pgp-sub 0.089
HIA 0.015
CACO-2 -5.077
Distribution
MDCK 0.0000221
BBB 0.985
PPB 0.699717
VDSS 2.737
Metabolism
FU 0.200735
CYP1A2-inh 0.033
CYP1A2-sub 0.777
CYP2c19-inh 0.224
CYP2c19-sub 0.934
CYP2c9-inh 0.069
CYP2c9-sub 0.212
CYP2d6-inh 0.662
CYP2d6-sub 0.574
CYP3a4-inh 0.59
CYP3a4-sub 0.927
Excretion
CL 8.681
T12 0.226
Toxicity
hERG 0.029
Ames 0.055
ROA 0.09
SkinSen 0.046
Carcinogencity 0.936
EI 0.009
Respiratory 0.411
NR-Aromatase 0.115
Antiviral Prediction
Antiviral Yes
Prediction 0.660542
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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