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

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Chemoinformaics analysis of SAROTHRANOL


Physiochemical Properties
Molecular Weight 382.368 nRot 2
Heavy Atom Molecular Weight 364.224 nRig 23
Exact Molecular Weight 382.105 nRing 4
Solubility: LogS -3.359 nHRing 2
Solubility: LogP 4.175 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 46 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 28 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 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 16
No. of Oxygen atom 7 No. of Arom Bond 17
nHA 7 APOL 52.6863
nHD 3 BPOL 24.1337
Medicinal Chemistry Properties
QED 0.579
Synth 2.984
Natural Product Likeliness 2.364
NR-PPAR-gamma 0.979
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.996
Pgp-sub 0
HIA 0.052
CACO-2 -4.801
Distribution
MDCK 0.0000147
BBB 0.005
PPB 0.980575
VDSS 0.498
Metabolism
FU 0.058892
CYP1A2-inh 0.803
CYP1A2-sub 0.676
CYP2c19-inh 0.344
CYP2c19-sub 0.061
CYP2c9-inh 0.831
CYP2c9-sub 0.804
CYP2d6-inh 0.628
CYP2d6-sub 0.273
CYP3a4-inh 0.415
CYP3a4-sub 0.137
Excretion
CL 2.442
T12 0.76
Toxicity
hERG 0.011
Ames 0.485
ROA 0.389
SkinSen 0.705
Carcinogencity 0.683
EI 0.84
Respiratory 0.423
NR-Aromatase 0.926
Antiviral Prediction
Antiviral Yes
Prediction 0.625118
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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