Chemoinformaics analysis of Nonen-1-ol
Molecular Weight | 142.242 | nRot | 6 |
Heavy Atom Molecular Weight | 124.098 | nRig | 1 |
Exact Molecular Weight | 142.136 | nRing | 0 |
Solubility: LogS | -2.645 | nHRing | 0 |
Solubility: LogP | 3.147 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 28 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 10 | 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 | 9 | 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 | 27.8343 |
nHD | 1 | BPOL | 18.0577 |
QED | 0.394 |
Synth | 1.918 |
Natural Product Likeliness | 1.387 |
NR-PPAR-gamma | 0.173 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.026 |
Pgp-sub | 0.002 |
HIA | 0.003 |
CACO-2 | -4.495 |
MDCK | 0.0000197 |
BBB | 0.994 |
PPB | 0.472838 |
VDSS | 1.857 |
FU | 0.414299 |
CYP1A2-inh | 0.809 |
CYP1A2-sub | 0.608 |
CYP2c19-inh | 0.249 |
CYP2c19-sub | 0.356 |
CYP2c9-inh | 0.175 |
CYP2c9-sub | 0.842 |
CYP2d6-inh | 0.05 |
CYP2d6-sub | 0.254 |
CYP3a4-inh | 0.058 |
CYP3a4-sub | 0.103 |
CL | 5.601 |
T12 | 0.526 |
hERG | 0.181 |
Ames | 0.175 |
ROA | 0.042 |
SkinSen | 0.964 |
Carcinogencity | 0.43 |
EI | 0.983 |
Respiratory | 0.963 |
NR-Aromatase | 0.035 |
Antiviral | No |
Prediction | 0.940942 |