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

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Chemoinformaics analysis of 2-AMINOOXYPHENOL


Physiochemical Properties
Molecular Weight 125.127 nRot 1
Heavy Atom Molecular Weight 118.071 nRig 14
Exact Molecular Weight 125.048 nRing 1
Solubility: LogS -4.195 nHRing 0
Solubility: LogP 2.528 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 16 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 9 No. of Aromatic Carbocycles 1
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 7 No. of Saturated Hetero Cycles 0
No. of Carbon atom 6 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 2 No. of Arom Bond 6
nHA 3 APOL 17.3916
nHD 2 BPOL 7.04845
Medicinal Chemistry Properties
QED 0.482
Synth 2.381
Natural Product Likeliness 0.775
NR-PPAR-gamma 0.024
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.012
Pgp-sub 0.027
HIA 0.005
CACO-2 -4.667
Distribution
MDCK 0.0000202
BBB 0.036
PPB 0.821402
VDSS 0.705
Metabolism
FU 0.0974883
CYP1A2-inh 0.963
CYP1A2-sub 0.955
CYP2c19-inh 0.77
CYP2c19-sub 0.306
CYP2c9-inh 0.57
CYP2c9-sub 0.861
CYP2d6-inh 0.485
CYP2d6-sub 0.861
CYP3a4-inh 0.298
CYP3a4-sub 0.446
Excretion
CL 10.658
T12 0.739
Toxicity
hERG 0.09
Ames 0.175
ROA 0.079
SkinSen 0.259
Carcinogencity 0.791
EI 0.972
Respiratory 0.867
NR-Aromatase 0.126
Antiviral Prediction
Antiviral No
Prediction 0.89696
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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