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

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Chemoinformaics analysis of Colchicoside


Physiochemical Properties
Molecular Weight 547.557 nRot 7
Heavy Atom Molecular Weight 514.293 nRig 26
Exact Molecular Weight 547.205 nRing 4
Solubility: LogS -3.537 nHRing 1
Solubility: LogP -0.46 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 72 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 39 No. of Aromatic Carbocycles 2
nHetero 12 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 33 No. of Saturated Hetero Cycles 1
No. of Carbon atom 27 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 13
No. of Oxygen atom 11 No. of Arom Bond 13
nHA 11 APOL 77.0162
nHD 5 BPOL 44.0918
Medicinal Chemistry Properties
QED 0.317
Synth 4.198
Natural Product Likeliness 1.507
NR-PPAR-gamma 0.6
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.009
Pgp-sub 0.994
HIA 0.685
CACO-2 -5.989
Distribution
MDCK 0.0000163
BBB 0.493
PPB 0.332554
VDSS 0.325
Metabolism
FU 0.348912
CYP1A2-inh 0.011
CYP1A2-sub 0.331
CYP2c19-inh 0.014
CYP2c19-sub 0.808
CYP2c9-inh 0.001
CYP2c9-sub 0.282
CYP2d6-inh 0.007
CYP2d6-sub 0.215
CYP3a4-inh 0.018
CYP3a4-sub 0.176
Excretion
CL 1.604
T12 0.23
Toxicity
hERG 0.051
Ames 0.536
ROA 0.038
SkinSen 0.011
Carcinogencity 0.051
EI 0.005
Respiratory 0.006
NR-Aromatase 0.342
Antiviral Prediction
Antiviral Yes
Prediction 0.961753
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