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NCID-ZINC01659922

 MMsINC code: MMs02297408
Type: Neutral
Formula: C13H24N2O3S2
SMILES:   S(CC(NC(=O)NC1CCCCC1)C(OC)=O)CSC
InChI:   InChI=1/C13H24N2O3S2/c1-18-12(16)11(8-20-9-19-2)15-13(17)14-10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3,(H2,14,15,17)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=11.9203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.478 g/mol  logS: -3.1729  SlogP: 2.2136  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0830106  Sterimol/B1: 2.04175  Sterimol/B2: 3.40264  Sterimol/B3: 3.94976
  Sterimol/B4: 10.9673  Sterimol/L: 14.9878 
 
 Surface and Volume Properties
  Accessible surface: 598.903  Positive charged surface: 431.309  Negative charged surface: 167.594  Volume: 304
  Hydrophobic surface: 448.627  Hydrophilic surface: 150.276
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.