Chemoinformaics analysis of NONADECAN-1-OL
Molecular Weight | 284.528 | nRot | 17 |
Heavy Atom Molecular Weight | 244.208 | nRig | 27 |
Exact Molecular Weight | 284.308 | nRing | 0 |
Solubility: LogS | -1.357 | nHRing | 0 |
Solubility: LogP | 4.141 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 60 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 40 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 19 | 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 | 59.2037 |
nHD | 1 | BPOL | 40.1283 |
QED | 0.203 |
Synth | 4.952 |
Natural Product Likeliness | 1.112 |
NR-PPAR-gamma | 0.013 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.569 |
Pgp-sub | 0.978 |
HIA | 0.098 |
CACO-2 | -5.623 |
MDCK | 0.0000141 |
BBB | 0.002 |
PPB | 0.85306 |
VDSS | 0.788 |
FU | 0.0607709 |
CYP1A2-inh | 0.003 |
CYP1A2-sub | 0.76 |
CYP2c19-inh | 0.02 |
CYP2c19-sub | 0.739 |
CYP2c9-inh | 0.099 |
CYP2c9-sub | 0.989 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.102 |
CYP3a4-inh | 0.854 |
CYP3a4-sub | 0.879 |
CL | 8.575 |
T12 | 0.13 |
hERG | 0.01 |
Ames | 0.018 |
ROA | 1 |
SkinSen | 0.026 |
Carcinogencity | 0.156 |
EI | 0.525 |
Respiratory | 0.078 |
NR-Aromatase | 0.048 |
Antiviral | Yes |
Prediction | 0.505631 |