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ENAMINE-ZINC03215039

 MMsINC code: MMs01309272
Type: Neutral
Formula: C13H25N3O4S
SMILES:   S(=O)(=O)(N(C(=O)NC(=O)NC(CC)C)C1CCCCC1)C
InChI:   InChI=1/C13H25N3O4S/c1-4-10(2)14-12(17)15-13(18)16(21(3,19)20)11-8-6-5-7-9-11/h10-11H,4-9H2,1-3H3,(H2,14,15,17,18)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=-0.985095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.426 g/mol  logS: -2.27729  SlogP: 1.7984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181165  Sterimol/B1: 2.03453  Sterimol/B2: 5.22753  Sterimol/B3: 5.45958
  Sterimol/B4: 5.82628  Sterimol/L: 13.5443 
 
 Surface and Volume Properties
  Accessible surface: 547.573  Positive charged surface: 354.054  Negative charged surface: 193.519  Volume: 294.5
  Hydrophobic surface: 392.239  Hydrophilic surface: 155.334
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  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
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Ions/Tautomers related molecules: no related molecules available.