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

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Chemoinformaics analysis of COLCHICINE


Physiochemical Properties
Molecular Weight 399.443 nRot 5
Heavy Atom Molecular Weight 374.243 nRig 20
Exact Molecular Weight 399.168 nRing 3
Solubility: LogS -3.013 nHRing 0
Solubility: LogP 1.177 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 54 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 29 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 25 No. of Saturated Hetero Cycles 0
No. of Carbon atom 22 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 13
No. of Oxygen atom 6 No. of Arom Bond 13
nHA 6 APOL 59.3218
nHD 1 BPOL 34.3302
Medicinal Chemistry Properties
QED 0.833
Synth 2.924
Natural Product Likeliness 0.755
NR-PPAR-gamma 0.291
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.845
Pgp-sub 0.77
HIA 0.004
CACO-2 -4.68
Distribution
MDCK 0.0000187
BBB 0.744
PPB 0.619986
VDSS 0.679
Metabolism
FU 0.195338
CYP1A2-inh 0.063
CYP1A2-sub 0.958
CYP2c19-inh 0.182
CYP2c19-sub 0.882
CYP2c9-inh 0.04
CYP2c9-sub 0.567
CYP2d6-inh 0.08
CYP2d6-sub 0.508
CYP3a4-inh 0.314
CYP3a4-sub 0.909
Excretion
CL 1.958
T12 0.31
Toxicity
hERG 0.049
Ames 0.18
ROA 0.048
SkinSen 0.05
Carcinogencity 0.038
EI 0.009
Respiratory 0.035
NR-Aromatase 0.581
Antiviral Prediction
Antiviral Yes
Prediction 0.705528
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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