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

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Chemoinformaics analysis of VINCAMENINE


Physiochemical Properties
Molecular Weight 278.399 nRot 1
Heavy Atom Molecular Weight 256.223 nRig 23
Exact Molecular Weight 278.178 nRing 5
Solubility: LogS -3.674 nHRing 4
Solubility: LogP 4.219 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 43 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 21 No. of Aromatic Carbocycles 1
nHetero 2 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 1
No. of Carbon atom 19 No. of Saturated Rings 1
No. of Nitrogen atom 2 No. of Arom Atom 9
No. of Oxygen atom 0 No. of Arom Bond 10
nHA 2 APOL 48.5994
nHD 0 BPOL 25.4906
Medicinal Chemistry Properties
QED 0.758
Synth 3.897
Natural Product Likeliness 1.632
NR-PPAR-gamma 0.011
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.993
Pgp-sub 0.389
HIA 0.004
CACO-2 -4.802
Distribution
MDCK 0.0000196
BBB 0.997
PPB 0.835935
VDSS 2.803
Metabolism
FU 0.126206
CYP1A2-inh 0.285
CYP1A2-sub 0.613
CYP2c19-inh 0.214
CYP2c19-sub 0.936
CYP2c9-inh 0.051
CYP2c9-sub 0.194
CYP2d6-inh 0.986
CYP2d6-sub 0.906
CYP3a4-inh 0.913
CYP3a4-sub 0.84
Excretion
CL 8.148
T12 0.257
Toxicity
hERG 0.695
Ames 0.348
ROA 0.293
SkinSen 0.307
Carcinogencity 0.441
EI 0.014
Respiratory 0.458
NR-Aromatase 0.88
Antiviral Prediction
Antiviral No
Prediction 0.601676
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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