 |
 |
|
 |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
| SMILES: | OC(=O)c1ccc(NC(=O)c2cc(cc(NC(=O)C(C)(C)C)c2)C(=O)Nc2ccc(cc2) C(O)=O)cc1 |
| InChI: | InChI=1/C27H25N3O7/c1-27(2,3)26(37)30-21-13-17(22(31)28-19-8-4-15(5-9-19)24(33)34)12-18(14-21)23(32)29-20-10-6-16(7-11-20)25(35)36/h4-14H,1-3H3,(H,28,31)(H,29,32)(H,30,37)(H,33,34)(H,35,36) |
 |
|
| download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=141.255 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 503.511 g/mol | logS: -6.07842 | SlogP: 4.5722 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0327026 | Sterimol/B1: 2.5427 | Sterimol/B2: 3.8601 | Sterimol/B3: 4.26781 | |||
| Sterimol/B4: 14.5986 | Sterimol/L: 19.3403 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 826.532 | Positive charged surface: 467.123 | Negative charged surface: 359.409 | Volume: 459.625 | |||
| Hydrophobic surface: 482.259 | Hydrophilic surface: 344.273 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 7 | Hydrogen bond acceptors: 7 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 0 | ||||||
| Drug- and Lead-like Properties | ||||||
| Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 0 | ||||
|
Ions/Tautomers related molecules
