Chemoinformaics analysis of NONADECENOIC-ACID
Molecular Weight | 298.511 | nRot | 17 |
Heavy Atom Molecular Weight | 260.207 | nRig | 1 |
Exact Molecular Weight | 298.287 | nRing | 0 |
Solubility: LogS | -6.079 | nHRing | 0 |
Solubility: LogP | 7.984 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 59 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 38 | 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 | 2 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 58.6721 |
nHD | 1 | BPOL | 38.9899 |
QED | 0.302 |
Synth | 1.669 |
Natural Product Likeliness | 0.33 |
NR-PPAR-gamma | 0.979 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0 |
HIA | 0.005 |
CACO-2 | -5.084 |
MDCK | 0.0000191 |
BBB | 0.022 |
PPB | 0.992215 |
VDSS | 0.817 |
FU | 0.00857215 |
CYP1A2-inh | 0.249 |
CYP1A2-sub | 0.179 |
CYP2c19-inh | 0.274 |
CYP2c19-sub | 0.064 |
CYP2c9-inh | 0.106 |
CYP2c9-sub | 0.992 |
CYP2d6-inh | 0.012 |
CYP2d6-sub | 0.04 |
CYP3a4-inh | 0.042 |
CYP3a4-sub | 0.013 |
CL | 2.473 |
T12 | 0.412 |
hERG | 0.087 |
Ames | 0.005 |
ROA | 0.021 |
SkinSen | 0.935 |
Carcinogencity | 0.045 |
EI | 0.959 |
Respiratory | 0.896 |
NR-Aromatase | 0.081 |
Antiviral | No |
Prediction | 0.58312 |