Chemoinformaics analysis of Triprolidine
Molecular Weight | 278.399 | nRot | 4 |
Heavy Atom Molecular Weight | 256.223 | nRig | 18 |
Exact Molecular Weight | 278.178 | nRing | 3 |
Solubility: LogS | -4.298 | nHRing | 2 |
Solubility: LogP | 2.978 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 43 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 1 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 19 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 12 |
No. of Oxygen atom | 0 | No. of Arom Bond | 12 |
nHA | 2 | APOL | 48.5994 |
nHD | 0 | BPOL | 24.9206 |
QED | 0.632 |
Synth | 2.151 |
Natural Product Likeliness | 0.094 |
NR-PPAR-gamma | 0.008 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.952 |
Pgp-sub | 0.001 |
HIA | 0.004 |
CACO-2 | -4.635 |
MDCK | 0.0000406 |
BBB | 0.266 |
PPB | 0.849569 |
VDSS | 0.786 |
FU | 0.109367 |
CYP1A2-inh | 0.56 |
CYP1A2-sub | 0.964 |
CYP2c19-inh | 0.805 |
CYP2c19-sub | 0.839 |
CYP2c9-inh | 0.655 |
CYP2c9-sub | 0.897 |
CYP2d6-inh | 0.03 |
CYP2d6-sub | 0.894 |
CYP3a4-inh | 0.804 |
CYP3a4-sub | 0.681 |
CL | 7.646 |
T12 | 0.296 |
hERG | 0.672 |
Ames | 0.73 |
ROA | 0.276 |
SkinSen | 0.171 |
Carcinogencity | 0.343 |
EI | 0.06 |
Respiratory | 0.861 |
NR-Aromatase | 0.824 |
Antiviral | No |
Prediction | 0.724186 |