 |
 |
|
 |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
| SMILES: | O(C(C)(C)C)C(=O)C(NC(=O)C(NC(OCc1ccccc1)=O)CC(=O)N)COC(C)(C) C |
| InChI: | InChI=1/C23H35N3O7/c1-22(2,3)32-14-17(20(29)33-23(4,5)6)25-19(28)16(12-18(24)27)26-21(30)31-13-15-10-8-7-9-11-15/h7-11,16-17H,12-14H2,1-6H3,(H2,24,27)(H,25,28)(H,26,30)/t16-,17-/m0/s1 |
 |
|
| download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=84.9764 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 465.547 g/mol | logS: -4.45495 | SlogP: 2.0648 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0554474 | Sterimol/B1: 2.55809 | Sterimol/B2: 3.91807 | Sterimol/B3: 4.11962 | |||
| Sterimol/B4: 10.3612 | Sterimol/L: 21.0859 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 809.182 | Positive charged surface: 529.546 | Negative charged surface: 279.636 | Volume: 453.25 | |||
| Hydrophobic surface: 520.752 | Hydrophilic surface: 288.43 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 2 | ||||||
| Drug- and Lead-like Properties | ||||||
| Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 0 | ||||
|
Ions/Tautomers related molecules: no related molecules available.