 |
 |
|
 |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
| SMILES: | P(O)(O)(=O)CCCCCCC(NC(=O)Cc1ccccc1)C(=O)[O-] |
| InChI: | InChI=1/C16H24NO6P/c18-15(12-13-8-4-3-5-9-13)17-14(16(19)20)10-6-1-2-7-11-24(21,22)23/h3-5,8-9,14H,1-2,6-7,10-12H2,(H,17,18)(H,19,20)(H2,21,22,23)/p-1/t14-/m0/s1 |
 |
|
| download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=-9.85766 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 356.335 g/mol | logS: -2.50155 | SlogP: -0.47823 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0355339 | Sterimol/B1: 2.33597 | Sterimol/B2: 3.32852 | Sterimol/B3: 4.05637 | |||
| Sterimol/B4: 8.78965 | Sterimol/L: 18.9349 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 647.796 | Positive charged surface: 377.639 | Negative charged surface: 270.156 | Volume: 329 | |||
| Hydrophobic surface: 402.023 | Hydrophilic surface: 245.773 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 4 | Hydrogen bond acceptors: 4 | Acid groups: 2 | 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 | ||||
|
