Chemoinformaics analysis of P-Mentha-1,4-Dien-7-Ol


Molecular Weight 152.237 nRot 2
Heavy Atom Molecular Weight 136.109 nRig 6
Exact Molecular Weight 152.12 nRing 1
Solubility: LogS -2.097 nHRing 0
Solubility: LogP 2.363 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 3.476
Natural Product Likeliness 2.59
NR-PPAR-gamma 0.006
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.001
HIA 0.004
CACO-2 -4.303
MDCK 0.000016
BBB 0.936
PPB 0.765232
VDSS 1.683
FU 0.135164
CYP1A2-inh 0.62
CYP1A2-sub 0.122
CYP2c19-inh 0.042
CYP2c19-sub 0.452
CYP2c9-inh 0.04
CYP2c9-sub 0.428
CYP2d6-inh 0.031
CYP2d6-sub 0.318
CYP3a4-inh 0.066
CYP3a4-sub 0.226
CL 9.883
T12 0.837
hERG 0.003
Ames 0.013
ROA 0.018
SkinSen 0.323
Carcinogencity 0.957
EI 0.955
Respiratory 0.168
NR-Aromatase 0.01
Antiviral No
Prediction 0.929863