Chemoinformaics analysis of CIS-P-MENTH-2-EN-1-OL


Molecular Weight 154.253 nRot 1
Heavy Atom Molecular Weight 136.109 nRig 6
Exact Molecular Weight 154.136 nRing 1
Solubility: LogS -2.061 nHRing 0
Solubility: LogP 2.745 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 29 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 11 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 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 1 No. of Arom Bond 0
nHA 1 APOL 29.5043
nHD 1 BPOL 18.0577
QED 0.575
Synth 3.833
Natural Product Likeliness 3.545
NR-PPAR-gamma 0.002
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.002
HIA 0.005
CACO-2 -4.142
MDCK 0.0000242
BBB 0.988
PPB 0.78134
VDSS 1.177
FU 0.241457
CYP1A2-inh 0.112
CYP1A2-sub 0.677
CYP2c19-inh 0.122
CYP2c19-sub 0.872
CYP2c9-inh 0.075
CYP2c9-sub 0.205
CYP2d6-inh 0.014
CYP2d6-sub 0.148
CYP3a4-inh 0.568
CYP3a4-sub 0.572
CL 9.475
T12 0.409
hERG 0.01
Ames 0.014
ROA 0.048
SkinSen 0.046
Carcinogencity 0.119
EI 0.922
Respiratory 0.018
NR-Aromatase 0.007
Antiviral No
Prediction 0.930017