Type: Neutral
Formula: C19H24N4O4S
SMILES: |
s1ccnc1NC(=O)CCC(=O)N(CC(=O)NCCOC)c1ccccc1C |
InChI: |
InChI=1/C19H24N4O4S/c1-14-5-3-4-6-15(14)23(13-17(25)20-9-11-27-2)18(26)8-7-16(24)22-19-21-10-12-28-19/h3-6,10,12H,7-9,11,13H2,1-2H3,(H,20,25)(H,21,22,24) |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 404.491 g/mol | logS: -3.1883 | SlogP: 1.96602 | Reactive groups: 0 |
| | | |
Topological Properties | | | |
Globularity: 0.0690773 | Sterimol/B1: 1.969 | Sterimol/B2: 3.71733 | Sterimol/B3: 6.83661 |
Sterimol/B4: 6.97186 | Sterimol/L: 21.1445 | | | |
| | | |
Surface and Volume Properties | | | |
Accessible surface: 708.965 | Positive charged surface: 491.736 | Negative charged surface: 217.229 | Volume: 376.625 |
Hydrophobic surface: 568.829 | Hydrophilic surface: 140.136 | | |
| | | |
Pharmacophoric Properties | | | |
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | 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: 0 | Oprea's lead like rule: 1 | |
|
search links for this molecule: |
|
|
|
|
Ions/Tautomers related molecules: no related molecules available. | | | |