Chemoinformaics analysis of Trans-P-Mentha-1(10),5,Diene-2-Ol


Molecular Weight 152.237 nRot 1
Heavy Atom Molecular Weight 136.109 nRig 7
Exact Molecular Weight 152.12 nRing 1
Solubility: LogS -1.93 nHRing 0
Solubility: LogP 2.009 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 0.61
Synth 4.257
Natural Product Likeliness 3.421
NR-PPAR-gamma 0.064
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.001
HIA 0.011
CACO-2 -4.508
MDCK 0.0000259
BBB 0.987
PPB 0.524756
VDSS 1.206
FU 0.380318
CYP1A2-inh 0.074
CYP1A2-sub 0.116
CYP2c19-inh 0.03
CYP2c19-sub 0.822
CYP2c9-inh 0.034
CYP2c9-sub 0.423
CYP2d6-inh 0.003
CYP2d6-sub 0.241
CYP3a4-inh 0.075
CYP3a4-sub 0.392
CL 12.728
T12 0.563
hERG 0.024
Ames 0.139
ROA 0.422
SkinSen 0.866
Carcinogencity 0.876
EI 0.79
Respiratory 0.958
NR-Aromatase 0.017
Antiviral No
Prediction 0.90833