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ENAMINE-ZINC03206600

 MMsINC code: MMs01306212
Type: Neutral
Formula: C13H25N3O4S
SMILES:   S(=O)(=O)(N(C(=O)NC(=O)NCCCC)C1CCCCC1)C
InChI:   InChI=1/C13H25N3O4S/c1-3-4-10-14-12(17)15-13(18)16(21(2,19)20)11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H2,14,15,17,18)

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Potential Energy
Epot(MMFF94)=-4.76351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.426 g/mol  logS: -2.4653  SlogP: 1.8  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0795271  Sterimol/B1: 3.48594  Sterimol/B2: 4.1107  Sterimol/B3: 5.10198
  Sterimol/B4: 5.52441  Sterimol/L: 16.1308 
 
 Surface and Volume Properties
  Accessible surface: 566.162  Positive charged surface: 381.307  Negative charged surface: 184.855  Volume: 294.875
  Hydrophobic surface: 416.19  Hydrophilic surface: 149.972
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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
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Ions/Tautomers related molecules: no related molecules available.