Chemoinformaics analysis of P-Mentha-Cis-2-8-Dien-1-Ol


Molecular Weight 152.237 nRot 1
Heavy Atom Molecular Weight 136.109 nRig 7
Exact Molecular Weight 152.12 nRing 1
Solubility: LogS -1.525 nHRing 0
Solubility: LogP 2.352 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 0.571
Synth 4.127
Natural Product Likeliness 3.573
NR-PPAR-gamma 0.006
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.004
HIA 0.003
CACO-2 -4.289
MDCK 0.0000342
BBB 0.94
PPB 0.369936
VDSS 1.231
FU 0.607718
CYP1A2-inh 0.074
CYP1A2-sub 0.726
CYP2c19-inh 0.063
CYP2c19-sub 0.805
CYP2c9-inh 0.021
CYP2c9-sub 0.151
CYP2d6-inh 0.009
CYP2d6-sub 0.143
CYP3a4-inh 0.463
CYP3a4-sub 0.339
CL 11.454
T12 0.484
hERG 0.02
Ames 0.008
ROA 0.636
SkinSen 0.204
Carcinogencity 0.814
EI 0.92
Respiratory 0.88
NR-Aromatase 0.026
Antiviral No
Prediction 0.91633