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

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Chemoinformaics analysis of GINKGOTOXIN


Physiochemical Properties
Molecular Weight 183.207 nRot 3
Heavy Atom Molecular Weight 170.103 nRig 6
Exact Molecular Weight 183.09 nRing 1
Solubility: LogS -0.576 nHRing 1
Solubility: LogP 0.119 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 26 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 13 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 13 No. of Saturated Hetero Cycles 0
No. of Carbon atom 9 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 4 APOL 27.2043
nHD 2 BPOL 15.9177
Medicinal Chemistry Properties
QED 0.725
Synth 2.529
Natural Product Likeliness 0.458
NR-PPAR-gamma 0.153
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.019
HIA 0.006
CACO-2 -4.576
Distribution
MDCK 0.00000736
BBB 0.1
PPB 0.147734
VDSS 1.351
Metabolism
FU 0.731358
CYP1A2-inh 0.049
CYP1A2-sub 0.392
CYP2c19-inh 0.016
CYP2c19-sub 0.511
CYP2c9-inh 0.002
CYP2c9-sub 0.148
CYP2d6-inh 0.008
CYP2d6-sub 0.521
CYP3a4-inh 0.004
CYP3a4-sub 0.283
Excretion
CL 7.471
T12 0.889
Toxicity
hERG 0.023
Ames 0.349
ROA 0.052
SkinSen 0.878
Carcinogencity 0.496
EI 0.056
Respiratory 0.068
NR-Aromatase 0.536
Antiviral Prediction
Antiviral No
Prediction 0.859806
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A database of all the medicinal plants having PAN India presence.
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