Chemoinformaics analysis of P-Menthal-1-5-Dien-8-Ol


Molecular Weight 152.237 nRot 1
Heavy Atom Molecular Weight 136.109 nRig 6
Exact Molecular Weight 152.12 nRing 1
Solubility: LogS -1.07 nHRing 0
Solubility: LogP 2.259 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 3.731
Natural Product Likeliness 2.774
NR-PPAR-gamma 0.002
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.005
HIA 0.008
CACO-2 -4.293
MDCK 0.000027
BBB 0.993
PPB 0.792877
VDSS 1.179
FU 0.259759
CYP1A2-inh 0.033
CYP1A2-sub 0.131
CYP2c19-inh 0.031
CYP2c19-sub 0.877
CYP2c9-inh 0.018
CYP2c9-sub 0.43
CYP2d6-inh 0.01
CYP2d6-sub 0.678
CYP3a4-inh 0.033
CYP3a4-sub 0.34
CL 7.718
T12 0.774
hERG 0.01
Ames 0.004
ROA 0.041
SkinSen 0.936
Carcinogencity 0.629
EI 0.945
Respiratory 0.636
NR-Aromatase 0.005
Antiviral No
Prediction 0.91533