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

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Chemoinformaics analysis of 8-Epiloganin


Physiochemical Properties
Molecular Weight 390.385 nRot 4
Heavy Atom Molecular Weight 364.177 nRig 17
Exact Molecular Weight 390.153 nRing 3
Solubility: LogS -0.913 nHRing 2
Solubility: LogP -0.09 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 53 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 27 No. of Aromatic Carbocycles 0
nHetero 10 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 1
No. of Hydrogen atom 26 No. of Saturated Hetero Cycles 1
No. of Carbon atom 17 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 10 No. of Arom Bond 0
nHA 10 APOL 53.7466
nHD 5 BPOL 33.8954
Medicinal Chemistry Properties
QED 0.336
Synth 4.69
Natural Product Likeliness 2.766
NR-PPAR-gamma 0.001
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.122
HIA 0.879
CACO-2 -5.88
Distribution
MDCK 0.000113916
BBB 0.241
PPB 0.21178
VDSS 0.333
Metabolism
FU 0.508234
CYP1A2-inh 0.019
CYP1A2-sub 0.706
CYP2c19-inh 0.017
CYP2c19-sub 0.63
CYP2c9-inh 0.002
CYP2c9-sub 0.034
CYP2d6-inh 0.004
CYP2d6-sub 0.081
CYP3a4-inh 0.005
CYP3a4-sub 0.096
Excretion
CL 2.172
T12 0.915
Toxicity
hERG 0.03
Ames 0.08
ROA 0.028
SkinSen 0.284
Carcinogencity 0.924
EI 0.155
Respiratory 0.957
NR-Aromatase 0.004
Antiviral Prediction
Antiviral Yes
Prediction 0.669508
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A database of all the medicinal plants having PAN India presence.
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