 |
 |
|
 |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
| SMILES: | O(CC)c1c2cc(n(c2ccc1)CCCc1ccccc1)C(=O)NCCCCCC |
| InChI: | InChI=1/C26H34N2O2/c1-3-5-6-10-18-27-26(29)24-20-22-23(16-11-17-25(22)30-4-2)28(24)19-12-15-21-13-8-7-9-14-21/h7-9,11,13-14,16-17,20H,3-6,10,12,15,18-19H2,1-2H3,(H,27,29) |
 |
|
| download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=49.2105 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 406.57 g/mol | logS: -6.35121 | SlogP: 6.24927 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0694058 | Sterimol/B1: 3.70419 | Sterimol/B2: 4.52431 | Sterimol/B3: 8.02322 | |||
| Sterimol/B4: 9.56257 | Sterimol/L: 18.6836 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 804.83 | Positive charged surface: 552.83 | Negative charged surface: 246.634 | Volume: 436.5 | |||
| Hydrophobic surface: 719.616 | Hydrophilic surface: 85.214 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | 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: no related molecules available.