Chemoinformaics analysis of ROLLINIASTATIN-2
| Molecular Weight | 622.928 | nRot | 25 |
| Heavy Atom Molecular Weight | 556.4 | nRig | 15 |
| Exact Molecular Weight | 622.481 | nRing | 3 |
| Solubility: LogS | -4.676 | nHRing | 3 |
| Solubility: LogP | 8.66 | No. of Aliphatic Rings | 3 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 110 | No. of Aliphatic Hetero Cycles | 3 |
| No. of Heavy Atom | 44 | No. of Aromatic Carbocycles | 0 |
| nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 66 | No. of Saturated Hetero Cycles | 2 |
| No. of Carbon atom | 37 | No. of Saturated Rings | 2 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 7 | No. of Arom Bond | 0 |
| nHA | 7 | APOL | 111.412 |
| nHD | 3 | BPOL | 72.2877 |
| QED | 0.081 |
| Synth | 4.662 |
| Natural Product Likeliness | 1.091 |
| NR-PPAR-gamma | 0.946 |
| Lipinski | Rejected |
| Pfizer | Accepted |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 0.007 |
| Pgp-sub | 0.031 |
| HIA | 0.064 |
| CACO-2 | -5.221 |
| MDCK | 0.0000136 |
| BBB | 0.008 |
| PPB | 0.970277 |
| VDSS | 1.407 |
| FU | 0.0202675 |
| CYP1A2-inh | 0.009 |
| CYP1A2-sub | 0.368 |
| CYP2c19-inh | 0.055 |
| CYP2c19-sub | 0.058 |
| CYP2c9-inh | 0.045 |
| CYP2c9-sub | 0.963 |
| CYP2d6-inh | 0.007 |
| CYP2d6-sub | 0.182 |
| CYP3a4-inh | 0.117 |
| CYP3a4-sub | 0.023 |
| CL | 7.572 |
| T12 | 0.04 |
| hERG | 0.026 |
| Ames | 0.074 |
| ROA | 0.197 |
| SkinSen | 0.966 |
| Carcinogencity | 0.021 |
| EI | 0.009 |
| Respiratory | 0.528 |
| NR-Aromatase | 0.905 |
| Antiviral | No |
| Prediction | 0.673685 |