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

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Chemoinformaics analysis of VINCAMINOREINE


Physiochemical Properties
Molecular Weight 354.494 nRot 2
Heavy Atom Molecular Weight 324.254 nRig 23
Exact Molecular Weight 354.231 nRing 4
Solubility: LogS -3.687 nHRing 3
Solubility: LogP 4.15 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 56 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 26 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 1
nBridge Head 2 No. Saturated Carbocycles 0
No. of Hydrogen atom 30 No. of Saturated Hetero Cycles 1
No. of Carbon atom 22 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 4 APOL 60.5478
nHD 0 BPOL 36.1202
Medicinal Chemistry Properties
QED 0.768
Synth 4.988
Natural Product Likeliness 0.745
NR-PPAR-gamma 0.009
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.174
Pgp-sub 0.453
HIA 0.007
CACO-2 -4.694
Distribution
MDCK 0.0000217
BBB 0.984
PPB 0.620796
VDSS 2.774
Metabolism
FU 0.424191
CYP1A2-inh 0.225
CYP1A2-sub 0.939
CYP2c19-inh 0.054
CYP2c19-sub 0.944
CYP2c9-inh 0.04
CYP2c9-sub 0.292
CYP2d6-inh 0.935
CYP2d6-sub 0.915
CYP3a4-inh 0.938
CYP3a4-sub 0.857
Excretion
CL 8.542
T12 0.058
Toxicity
hERG 0.877
Ames 0.39
ROA 0.507
SkinSen 0.036
Carcinogencity 0.278
EI 0.01
Respiratory 0.915
NR-Aromatase 0.048
Antiviral Prediction
Antiviral Yes
Prediction 0.627451
OSADHI

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

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