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PUBCHEM-ZINC00254132

 MMsINC code: MMs02646089
Type: Neutral
Formula: C14H26N2O2S
SMILES:   S1CC(N(C1)C(=O)CC(C)(C)C)C(=O)NC(CC)C
InChI:   InChI=1/C14H26N2O2S/c1-6-10(2)15-13(18)11-8-19-9-16(11)12(17)7-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=71.525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.44 g/mol  logS: -3.28689  SlogP: 2.2388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0815458  Sterimol/B1: 3.43922  Sterimol/B2: 3.80006  Sterimol/B3: 4.64268
  Sterimol/B4: 6.65016  Sterimol/L: 14.6626 
 
 Surface and Volume Properties
  Accessible surface: 528.757  Positive charged surface: 366.823  Negative charged surface: 161.934  Volume: 292.25
  Hydrophobic surface: 352.957  Hydrophilic surface: 175.8
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.