Chemoinformaics analysis of Foliamenthoic Acid


Molecular Weight 184.235 nRot 5
Heavy Atom Molecular Weight 168.107 nRig 3
Exact Molecular Weight 184.11 nRing 0
Solubility: LogS -1.085 nHRing 0
Solubility: LogP 1.822 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 29 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 13 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 16 No. of Saturated Hetero Cycles 0
No. of Carbon atom 10 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 3 No. of Arom Bond 0
nHA 2 APOL 29.7747
nHD 2 BPOL 16.9193
QED 0.638
Synth 3.682
Natural Product Likeliness 2.835
NR-PPAR-gamma 0.035
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.001
HIA 0.007
CACO-2 -4.809
MDCK 0.00323558
BBB 0.976
PPB 0.669213
VDSS 0.489
FU 0.419561
CYP1A2-inh 0.017
CYP1A2-sub 0.085
CYP2c19-inh 0.016
CYP2c19-sub 0.062
CYP2c9-inh 0.003
CYP2c9-sub 0.773
CYP2d6-inh 0.006
CYP2d6-sub 0.131
CYP3a4-inh 0.015
CYP3a4-sub 0.045
CL 6.749
T12 0.925
hERG 0.003
Ames 0.003
ROA 0.07
SkinSen 0.403
Carcinogencity 0.034
EI 0.991
Respiratory 0.061
NR-Aromatase 0.005
Antiviral No
Prediction 0.930854