 |
 |
|
 |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
| SMILES: | OC(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)C(C)C)Cc1ccccc1 |
| InChI: | InChI=1/C19H29N3O4/c1-11(2)15(20)17(23)22-16(12(3)4)18(24)21-14(19(25)26)10-13-8-6-5-7-9-13/h5-9,11-12,14-16H,10,20H2,1-4H3,(H,21,24)(H,22,23)(H,25,26)/t14-,15-,16-/m0/s1 |
 |
|
| download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=99.6523 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 363.458 g/mol | logS: -2.91375 | SlogP: 0.92257 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.189138 | Sterimol/B1: 2.94925 | Sterimol/B2: 4.23145 | Sterimol/B3: 6.2706 | |||
| Sterimol/B4: 7.3177 | Sterimol/L: 14.3525 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 632.789 | Positive charged surface: 403.999 | Negative charged surface: 228.79 | Volume: 359.375 | |||
| Hydrophobic surface: 399.438 | Hydrophilic surface: 233.351 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 5 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 3 | ||||||
| Drug- and Lead-like Properties | ||||||
| Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 | ||||
|
Ions/Tautomers related molecules: no related molecules available.