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

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Chemoinformaics analysis of Colchiceinamid


Physiochemical Properties
Molecular Weight 384.432 nRot 4
Heavy Atom Molecular Weight 360.24 nRig 21
Exact Molecular Weight 384.169 nRing 3
Solubility: LogS -2.22 nHRing 0
Solubility: LogP 1.862 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 52 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 28 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 24 No. of Saturated Hetero Cycles 0
No. of Carbon atom 21 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 13
No. of Oxygen atom 5 No. of Arom Bond 13
nHA 6 APOL 57.283
nHD 2 BPOL 31.021
Medicinal Chemistry Properties
QED 0.809
Synth 3.536
Natural Product Likeliness 0.444
NR-PPAR-gamma 0.619
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.004
Pgp-sub 0.481
HIA 0.017
CACO-2 -4.869
Distribution
MDCK 0.00000765
BBB 0.93
PPB 0.824324
VDSS 0.866
Metabolism
FU 0.128826
CYP1A2-inh 0.415
CYP1A2-sub 0.897
CYP2c19-inh 0.032
CYP2c19-sub 0.823
CYP2c9-inh 0.018
CYP2c9-sub 0.6
CYP2d6-inh 0.163
CYP2d6-sub 0.641
CYP3a4-inh 0.238
CYP3a4-sub 0.88
Excretion
CL 4.071
T12 0.879
Toxicity
hERG 0.091
Ames 0.132
ROA 0.617
SkinSen 0.075
Carcinogencity 0.066
EI 0.008
Respiratory 0.212
NR-Aromatase 0.585
Antiviral Prediction
Antiviral Yes
Prediction 0.681368
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