Chemoinformaics analysis of P-Mentha-1-8-Dien-7-Ol


Molecular Weight 152.237 nRot 2
Heavy Atom Molecular Weight 136.109 nRig 7
Exact Molecular Weight 152.12 nRing 1
Solubility: LogS -2.071 nHRing 0
Solubility: LogP 2.343 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 0.602
Synth 3.4
Natural Product Likeliness 2.529
NR-PPAR-gamma 0.005
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0
HIA 0.004
CACO-2 -4.271
MDCK 0.0000143
BBB 0.967
PPB 0.533714
VDSS 1.308
FU 0.396752
CYP1A2-inh 0.292
CYP1A2-sub 0.291
CYP2c19-inh 0.031
CYP2c19-sub 0.474
CYP2c9-inh 0.014
CYP2c9-sub 0.342
CYP2d6-inh 0.01
CYP2d6-sub 0.803
CYP3a4-inh 0.025
CYP3a4-sub 0.244
CL 9.169
T12 0.724
hERG 0.018
Ames 0.011
ROA 0.015
SkinSen 0.439
Carcinogencity 0.937
EI 0.983
Respiratory 0.833
NR-Aromatase 0.018
Antiviral No
Prediction 0.929863