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

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Chemoinformaics analysis of 11-Hydroxysugiol


Physiochemical Properties
Molecular Weight 316.441 nRot 1
Heavy Atom Molecular Weight 288.217 nRig 17
Exact Molecular Weight 316.204 nRing 3
Solubility: LogS -4.272 nHRing 0
Solubility: LogP 4.747 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 51 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 23 No. of Aromatic Carbocycles 1
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 1
No. of Hydrogen atom 28 No. of Saturated Hetero Cycles 0
No. of Carbon atom 20 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 3 APOL 54.4762
nHD 2 BPOL 28.9578
Medicinal Chemistry Properties
QED 0.725
Synth 3.723
Natural Product Likeliness 2.373
NR-PPAR-gamma 0.963
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.437
Pgp-sub 0
HIA 0.017
CACO-2 -4.763
Distribution
MDCK 0.0000195
BBB 0.145
PPB 0.987815
VDSS 2.112
Metabolism
FU 0.0250291
CYP1A2-inh 0.317
CYP1A2-sub 0.857
CYP2c19-inh 0.389
CYP2c19-sub 0.775
CYP2c9-inh 0.485
CYP2c9-sub 0.848
CYP2d6-inh 0.344
CYP2d6-sub 0.401
CYP3a4-inh 0.323
CYP3a4-sub 0.359
Excretion
CL 8.973
T12 0.199
Toxicity
hERG 0.007
Ames 0.034
ROA 0.174
SkinSen 0.854
Carcinogencity 0.124
EI 0.813
Respiratory 0.959
NR-Aromatase 0.854
Antiviral Prediction
Antiviral No
Prediction 0.772669
OSADHI

A database of all the medicinal plants having PAN India presence.
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