Chemoinformaics analysis of 1(7),2-P-Menthadien-4-Ol


Molecular Weight 152.237 nRot 1
Heavy Atom Molecular Weight 136.109 nRig 7
Exact Molecular Weight 152.12 nRing 1
Solubility: LogS -2.087 nHRing 0
Solubility: LogP 2.254 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 27 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 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 1 No. of Arom Bond 0
nHA 1 APOL 28.1707
nHD 1 BPOL 16.0513
QED 0.611
Synth 4.132
Natural Product Likeliness 3.326
NR-PPAR-gamma 0.012
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.003
Pgp-sub 0.001
HIA 0.004
CACO-2 -4.277
MDCK 0.0000314
BBB 0.995
PPB 0.599313
VDSS 1.525
FU 0.431928
CYP1A2-inh 0.179
CYP1A2-sub 0.325
CYP2c19-inh 0.108
CYP2c19-sub 0.793
CYP2c9-inh 0.059
CYP2c9-sub 0.498
CYP2d6-inh 0.1
CYP2d6-sub 0.209
CYP3a4-inh 0.085
CYP3a4-sub 0.335
CL 10.687
T12 0.633
hERG 0.031
Ames 0.086
ROA 0.068
SkinSen 0.929
Carcinogencity 0.89
EI 0.879
Respiratory 0.768
NR-Aromatase 0.049
Antiviral No
Prediction 0.922663