Type: Neutral
Formula: C20H26N4O4S
SMILES: |
s1ccnc1NC(=O)CCC(=O)N(CC(=O)NCCOC)c1cc(C)c(cc1)C |
InChI: |
InChI=1/C20H26N4O4S/c1-14-4-5-16(12-15(14)2)24(13-18(26)21-8-10-28-3)19(27)7-6-17(25)23-20-22-9-11-29-20/h4-5,9,11-12H,6-8,10,13H2,1-3H3,(H,21,26)(H,22,23,25) |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 418.518 g/mol | logS: -3.97567 | SlogP: 2.27444 | Reactive groups: 0 |
| | | |
Topological Properties | | | |
Globularity: 0.0653926 | Sterimol/B1: 2.06365 | Sterimol/B2: 3.99606 | Sterimol/B3: 4.5567 |
Sterimol/B4: 9.97856 | Sterimol/L: 21.3068 | | | |
| | | |
Surface and Volume Properties | | | |
Accessible surface: 734.212 | Positive charged surface: 521.165 | Negative charged surface: 213.047 | Volume: 392.625 |
Hydrophobic surface: 591.228 | Hydrophilic surface: 142.984 | | |
| | | |
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. | | | |