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

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Chemoinformaics analysis of GUVACOLINE


Physiochemical Properties
Molecular Weight 141.17 nRot 1
Heavy Atom Molecular Weight 130.082 nRig 7
Exact Molecular Weight 141.079 nRing 1
Solubility: LogS 0.869 nHRing 1
Solubility: LogP -0.333 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 21 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 10 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 11 No. of Saturated Hetero Cycles 0
No. of Carbon atom 7 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 3 APOL 21.7287
nHD 1 BPOL 14.2093
Medicinal Chemistry Properties
QED 0.525
Synth 2.954
Natural Product Likeliness 1.159
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.324
HIA 0.01
CACO-2 -4.418
Distribution
MDCK 0.0000296
BBB 0.313
PPB 0.159281
VDSS 1.77
Metabolism
FU 0.89199
CYP1A2-inh 0.071
CYP1A2-sub 0.245
CYP2c19-inh 0.046
CYP2c19-sub 0.78
CYP2c9-inh 0.006
CYP2c9-sub 0.269
CYP2d6-inh 0.129
CYP2d6-sub 0.71
CYP3a4-inh 0.015
CYP3a4-sub 0.282
Excretion
CL 7.838
T12 0.755
Toxicity
hERG 0.02
Ames 0.531
ROA 0.067
SkinSen 0.962
Carcinogencity 0.14
EI 0.668
Respiratory 0.552
NR-Aromatase 0.012
Antiviral Prediction
Antiviral No
Prediction 0.927858
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A database of all the medicinal plants having PAN India presence.
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