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PUBCHEM-ZINC05887359

 MMsINC code: MMs03429712
Type: Neutral
Formula: C15H27N3O4S
SMILES:   SCC(=O)C(NC(=O)C(NC(=O)N1CCOCC1)CC(C)C)C
InChI:   InChI=1/C15H27N3O4S/c1-10(2)8-12(14(20)16-11(3)13(19)9-23)17-15(21)18-4-6-22-7-5-18/h10-12,23H,4-9H2,1-3H3,(H,16,20)(H,17,21)/t11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=74.3247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.464 g/mol  logS: -3.16883  SlogP: 0.4465  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0990409  Sterimol/B1: 2.12709  Sterimol/B2: 2.47236  Sterimol/B3: 5.1553
  Sterimol/B4: 8.11174  Sterimol/L: 17.8427 
 
 Surface and Volume Properties
  Accessible surface: 618.385  Positive charged surface: 444.591  Negative charged surface: 173.794  Volume: 330.5
  Hydrophobic surface: 416.846  Hydrophilic surface: 201.539
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.