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

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Chemoinformaics analysis of 10-gingerol


Physiochemical Properties
Molecular Weight 350.499 nRot 14
Heavy Atom Molecular Weight 316.227 nRig 7
Exact Molecular Weight 350.246 nRing 1
Solubility: LogS -4.604 nHRing 0
Solubility: LogP 4.465 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 59 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 25 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 34 No. of Saturated Hetero Cycles 0
No. of Carbon atom 21 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 6
No. of Oxygen atom 4 No. of Arom Bond 6
nHA 4 APOL 60.949
nHD 2 BPOL 36.713
Medicinal Chemistry Properties
QED 0.473
Synth 2.632
Natural Product Likeliness 1.283
NR-PPAR-gamma 0.976
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.763
Pgp-sub 0.987
HIA 0.01
CACO-2 -4.647
Distribution
MDCK 0.0000218
BBB 0.924
PPB 0.966598
VDSS 1.032
Metabolism
FU 0.00897695
CYP1A2-inh 0.618
CYP1A2-sub 0.91
CYP2c19-inh 0.655
CYP2c19-sub 0.354
CYP2c9-inh 0.479
CYP2c9-sub 0.944
CYP2d6-inh 0.452
CYP2d6-sub 0.879
CYP3a4-inh 0.609
CYP3a4-sub 0.137
Excretion
CL 12.323
T12 0.823
Toxicity
hERG 0.109
Ames 0.125
ROA 0.023
SkinSen 0.864
Carcinogencity 0.044
EI 0.727
Respiratory 0.338
NR-Aromatase 0.448
Antiviral Prediction
Antiviral Yes
Prediction 0.884871
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A database of all the medicinal plants having PAN India presence.
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