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

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Chemoinformaics analysis of VINCADINE


Physiochemical Properties
Molecular Weight 340.467 nRot 2
Heavy Atom Molecular Weight 312.243 nRig 23
Exact Molecular Weight 340.215 nRing 4
Solubility: LogS -3.907 nHRing 3
Solubility: LogP 3.967 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 53 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 25 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 1
nBridge Head 2 No. Saturated Carbocycles 0
No. of Hydrogen atom 28 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 2 No. of Arom Bond 10
nHA 3 APOL 57.5442
nHD 1 BPOL 32.9738
Medicinal Chemistry Properties
QED 0.844
Synth 4.898
Natural Product Likeliness 0.782
NR-PPAR-gamma 0.008
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.119
Pgp-sub 0.911
HIA 0.003
CACO-2 -4.849
Distribution
MDCK 0.0000196
BBB 0.918
PPB 0.433685
VDSS 2.896
Metabolism
FU 0.566793
CYP1A2-inh 0.265
CYP1A2-sub 0.959
CYP2c19-inh 0.052
CYP2c19-sub 0.865
CYP2c9-inh 0.035
CYP2c9-sub 0.141
CYP2d6-inh 0.927
CYP2d6-sub 0.898
CYP3a4-inh 0.938
CYP3a4-sub 0.811
Excretion
CL 6.146
T12 0.087
Toxicity
hERG 0.938
Ames 0.015
ROA 0.84
SkinSen 0.069
Carcinogencity 0.128
EI 0.013
Respiratory 0.984
NR-Aromatase 0.498
Antiviral Prediction
Antiviral Yes
Prediction 0.663904
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

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  • Aromatic–Aromatic Interactions Database (A2ID)
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