Chemoinformaics analysis of trans-p-menth-2-en,1- ol


Molecular Weight 154.253 nRot 1
Heavy Atom Molecular Weight 136.109 nRig 6
Exact Molecular Weight 154.136 nRing 1
Solubility: LogS -2.599 nHRing 0
Solubility: LogP 2.795 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 29 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 18 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 29.5043
nHD 1 BPOL 18.0577
QED 0.575
Synth 3.833
Natural Product Likeliness 3.545
NR-PPAR-gamma 0.003
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.004
HIA 0.005
CACO-2 -4.194
MDCK 0.000026
BBB 0.601
PPB 0.878699
VDSS 1.315
FU 0.133922
CYP1A2-inh 0.26
CYP1A2-sub 0.752
CYP2c19-inh 0.164
CYP2c19-sub 0.881
CYP2c9-inh 0.078
CYP2c9-sub 0.243
CYP2d6-inh 0.012
CYP2d6-sub 0.128
CYP3a4-inh 0.387
CYP3a4-sub 0.55
CL 4.436
T12 0.571
hERG 0.008
Ames 0.007
ROA 0.029
SkinSen 0.075
Carcinogencity 0.046
EI 0.991
Respiratory 0.013
NR-Aromatase 0.006
Antiviral No
Prediction 0.930017