Chemoinformaics analysis of P-METHOXYBENZOIC-ACID


Molecular Weight 362.554 nRot 16
Heavy Atom Molecular Weight 324.25 nRig 7
Exact Molecular Weight 362.282 nRing 1
Solubility: LogS -6.978 nHRing 0
Solubility: LogP 8.438 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 64 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 26 No. of Aromatic Carbocycles 1
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 38 No. of Saturated Hetero Cycles 0
No. of Carbon atom 23 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 3 APOL 66.1541
nHD 0 BPOL 42.4619
QED 0.236
Synth 1.801
Natural Product Likeliness -0.09
NR-PPAR-gamma 0.026
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.761
Pgp-sub 0
HIA 0.002
CACO-2 -4.896
MDCK 0.0000152
BBB 0.049
PPB 0.986023
VDSS 3.015
FU 0.011634
CYP1A2-inh 0.208
CYP1A2-sub 0.204
CYP2c19-inh 0.452
CYP2c19-sub 0.065
CYP2c9-inh 0.128
CYP2c9-sub 0.951
CYP2d6-inh 0.475
CYP2d6-sub 0.385
CYP3a4-inh 0.406
CYP3a4-sub 0.076
CL 6.4
T12 0.095
hERG 0.543
Ames 0.005
ROA 0.007
SkinSen 0.963
Carcinogencity 0.046
EI 0.984
Respiratory 0.437
NR-Aromatase 0.292
Antiviral Yes
Prediction 0.639015