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NCID-ZINC01720462

 MMsINC code: MMs02345476
Type: Neutral
Formula: C12H24N2O2S
SMILES:   S(CCC(=O)NC(C)C)CCC(=O)NC(C)C
InChI:   InChI=1/C12H24N2O2S/c1-9(2)13-11(15)5-7-17-8-6-12(16)14-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,14,16)

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Potential Energy
Epot(MMFF94)=6.04465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.402 g/mol  logS: -2.00024  SlogP: 1.549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0209051  Sterimol/B1: 2.53207  Sterimol/B2: 2.62349  Sterimol/B3: 3.45554
  Sterimol/B4: 4.35171  Sterimol/L: 19.6954 
 
 Surface and Volume Properties
  Accessible surface: 571.978  Positive charged surface: 411.778  Negative charged surface: 160.2  Volume: 267.875
  Hydrophobic surface: 373.75  Hydrophilic surface: 198.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.