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

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Chemoinformaics analysis of Glabone


Physiochemical Properties
Molecular Weight 292.29 nRot 2
Heavy Atom Molecular Weight 280.194 nRig 22
Exact Molecular Weight 292.074 nRing 4
Solubility: LogS -6.482 nHRing 2
Solubility: LogP 4.49 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 4
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 34 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 22 No. of Aromatic Carbocycles 2
nHetero 4 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 18 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 19
No. of Oxygen atom 4 No. of Arom Bond 21
nHA 4 APOL 41.2695
nHD 0 BPOL 18.1145
Medicinal Chemistry Properties
QED 0.555
Synth 2.219
Natural Product Likeliness 0.63
NR-PPAR-gamma 0.014
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.955
Pgp-sub 0.464
HIA 0.006
CACO-2 -4.674
Distribution
MDCK 0.0000257
BBB 0.009
PPB 0.941963
VDSS 0.769
Metabolism
FU 0.0562362
CYP1A2-inh 0.963
CYP1A2-sub 0.842
CYP2c19-inh 0.706
CYP2c19-sub 0.065
CYP2c9-inh 0.527
CYP2c9-sub 0.921
CYP2d6-inh 0.651
CYP2d6-sub 0.931
CYP3a4-inh 0.705
CYP3a4-sub 0.258
Excretion
CL 5.105
T12 0.146
Toxicity
hERG 0.316
Ames 0.772
ROA 0.681
SkinSen 0.424
Carcinogencity 0.692
EI 0.916
Respiratory 0.781
NR-Aromatase 0.865
Antiviral Prediction
Antiviral Yes
Prediction 0.623285
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A database of all the medicinal plants having PAN India presence.
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