Chemoinformaics analysis of (S)-N-(3-HYDROXYPROPYL)-AZETIDINE-CARBOXYLIC-ACID
| Molecular Weight | 159.185 | nRot | 4 |
| Heavy Atom Molecular Weight | 146.081 | nRig | 5 |
| Exact Molecular Weight | 159.09 | nRing | 1 |
| Solubility: LogS | -0.574 | nHRing | 1 |
| Solubility: LogP | -2.215 | No. of Aliphatic Rings | 1 |
| Acid Count | 1 | No. of Aromatic Rings | 0 |
| Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 24 | No. of Aliphatic Hetero Cycles | 1 |
| No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
| nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 1 |
| No. of Carbon atom | 7 | No. of Saturated Rings | 1 |
| No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
| nHA | 3 | APOL | 23.8643 |
| nHD | 2 | BPOL | 15.6197 |
| QED | 0.582 |
| Synth | 2.719 |
| Natural Product Likeliness | -0.107 |
| NR-PPAR-gamma | 0.003 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0.001 |
| Pgp-sub | 0.003 |
| HIA | 0.53 |
| CACO-2 | -5.785 |
| MDCK | 0.00327083 |
| BBB | 0.747 |
| PPB | 0.0993832 |
| VDSS | 0.693 |
| FU | 0.974054 |
| CYP1A2-inh | 0.01 |
| CYP1A2-sub | 0.078 |
| CYP2c19-inh | 0.019 |
| CYP2c19-sub | 0.104 |
| CYP2c9-inh | 0.004 |
| CYP2c9-sub | 0.179 |
| CYP2d6-inh | 0.007 |
| CYP2d6-sub | 0.231 |
| CYP3a4-inh | 0.004 |
| CYP3a4-sub | 0.022 |
| CL | 7.795 |
| T12 | 0.741 |
| hERG | 0.011 |
| Ames | 0.012 |
| ROA | 0.005 |
| SkinSen | 0.154 |
| Carcinogencity | 0.024 |
| EI | 0.584 |
| Respiratory | 0.252 |
| NR-Aromatase | 0.003 |
| Antiviral | No |
| Prediction | 0.949457 |