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

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Chemoinformaics analysis of Oleoside


Physiochemical Properties
Molecular Weight 390.341 nRot 6
Heavy Atom Molecular Weight 368.165 nRig 15
Exact Molecular Weight 390.116 nRing 2
Solubility: LogS -1.003 nHRing 2
Solubility: LogP -1.099 No. of Aliphatic Rings 2
Acid Count 2 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 49 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 27 No. of Aromatic Carbocycles 0
nHetero 11 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 1
No. of Carbon atom 16 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 11 No. of Arom Bond 0
nHA 9 APOL 50.2114
nHD 6 BPOL 29.0146
Medicinal Chemistry Properties
QED 0.28
Synth 4.678
Natural Product Likeliness 2.561
NR-PPAR-gamma 0.007
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.991
HIA 0.841
CACO-2 -6.143
Distribution
MDCK 0.000150782
BBB 0.218
PPB 0.30649
VDSS 0.26
Metabolism
FU 0.446068
CYP1A2-inh 0.011
CYP1A2-sub 0.023
CYP2c19-inh 0.025
CYP2c19-sub 0.042
CYP2c9-inh 0.004
CYP2c9-sub 0.149
CYP2d6-inh 0.05
CYP2d6-sub 0.089
CYP3a4-inh 0.013
CYP3a4-sub 0.011
Excretion
CL 1.659
T12 0.876
Toxicity
hERG 0.004
Ames 0.892
ROA 0.582
SkinSen 0.451
Carcinogencity 0.93
EI 0.033
Respiratory 0.972
NR-Aromatase 0.005
Antiviral Prediction
Antiviral Yes
Prediction 0.656421
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A database of all the medicinal plants having PAN India presence.
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