 |
 |
|
 |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
| SMILES: | O(C(=O)c1ccc(cc1)CNC(=O)NC(C)C)CC(=O)NC1CCCc2c1cccc2 |
| InChI: | InChI=1/C24H29N3O4/c1-16(2)26-24(30)25-14-17-10-12-19(13-11-17)23(29)31-15-22(28)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-4,6,8,10-13,16,21H,5,7,9,14-15H2,1-2H3,(H,27,28)(H2,25,26,30)/t21-/m1/s1 |
 |
|
| download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=49.7599 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 423.513 g/mol | logS: -5.24971 | SlogP: 3.60667 | Reactive groups: 1 | |||
| Topological Properties | ||||||
| Globularity: 0.0232143 | Sterimol/B1: 3.10626 | Sterimol/B2: 4.14479 | Sterimol/B3: 5.42729 | |||
| Sterimol/B4: 5.45922 | Sterimol/L: 23.1416 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 768.287 | Positive charged surface: 510.08 | Negative charged surface: 258.207 | Volume: 418.125 | |||
| Hydrophobic surface: 582.386 | Hydrophilic surface: 185.901 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 1 | ||||||
| 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.