Chemoinformaics analysis of P-Mentha-1,8-Dien-10-Al


Molecular Weight 150.221 nRot 2
Heavy Atom Molecular Weight 136.109 nRig 8
Exact Molecular Weight 150.104 nRing 1
Solubility: LogS -2.819 nHRing 0
Solubility: LogP 2.817 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 25 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 14 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 26.8371
nHD 0 BPOL 14.9129
QED 0.336
Synth 3.748
Natural Product Likeliness 2.868
NR-PPAR-gamma 0.25
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0
HIA 0.014
CACO-2 -4.397
MDCK 0.0000212
BBB 0.996
PPB 0.761152
VDSS 2.33
FU 0.143058
CYP1A2-inh 0.613
CYP1A2-sub 0.126
CYP2c19-inh 0.297
CYP2c19-sub 0.459
CYP2c9-inh 0.068
CYP2c9-sub 0.806
CYP2d6-inh 0.009
CYP2d6-sub 0.666
CYP3a4-inh 0.036
CYP3a4-sub 0.244
CL 6.449
T12 0.555
hERG 0.003
Ames 0.68
ROA 0.083
SkinSen 0.892
Carcinogencity 0.953
EI 0.972
Respiratory 0.978
NR-Aromatase 0.147
Antiviral No
Prediction 0.943663