Type: Neutral
Formula: C20H26N4O4S
SMILES: |
s1ccnc1NC(=O)CCC(=O)N(CC(=O)NCCOC)c1cccc(C)c1C |
InChI: |
InChI=1/C20H26N4O4S/c1-14-5-4-6-16(15(14)2)24(13-18(26)21-9-11-28-3)19(27)8-7-17(25)23-20-22-10-12-29-20/h4-6,10,12H,7-9,11,13H2,1-3H3,(H,21,26)(H,22,23,25) |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 418.518 g/mol | logS: -3.66222 | SlogP: 2.27444 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.0718832 | Sterimol/B1: 2.06998 | Sterimol/B2: 3.4289 | Sterimol/B3: 5.37871 |
Sterimol/B4: 9.80709 | Sterimol/L: 21.0311 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 732.951 | Positive charged surface: 511.992 | Negative charged surface: 220.96 | Volume: 395.125 |
Hydrophobic surface: 592.143 | Hydrophilic surface: 140.808 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 0 | | | |
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Drug- and Lead-like Properties | | | |
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 | |
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Ions/Tautomers related molecules: no related molecules available. | | | |