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

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Chemoinformaics analysis of SORBIFOLIN


Physiochemical Properties
Molecular Weight 300.266 nRot 2
Heavy Atom Molecular Weight 288.17 nRig 18
Exact Molecular Weight 300.063 nRing 3
Solubility: LogS -3.614 nHRing 1
Solubility: LogP 2.963 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
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 6 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 6 No. of Arom Bond 17
nHA 6 APOL 39.5335
nHD 3 BPOL 16.3785
Medicinal Chemistry Properties
QED 0.629
Synth 2.326
Natural Product Likeliness 1.283
NR-PPAR-gamma 0.971
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.019
Pgp-sub 0.945
HIA 0.024
CACO-2 -4.909
Distribution
MDCK 0.000012
BBB 0.005
PPB 0.9652
VDSS 0.588
Metabolism
FU 0.0860115
CYP1A2-inh 0.944
CYP1A2-sub 0.844
CYP2c19-inh 0.265
CYP2c19-sub 0.061
CYP2c9-inh 0.675
CYP2c9-sub 0.819
CYP2d6-inh 0.541
CYP2d6-sub 0.531
CYP3a4-inh 0.375
CYP3a4-sub 0.161
Excretion
CL 5.421
T12 0.886
Toxicity
hERG 0.083
Ames 0.333
ROA 0.082
SkinSen 0.922
Carcinogencity 0.245
EI 0.911
Respiratory 0.183
NR-Aromatase 0.881
Antiviral Prediction
Antiviral Yes
Prediction 0.792396
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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