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ASINEX-ZINC04524572

 MMsINC code: MMs00348561
Type: Neutral
Formula: C10H17NO2S
SMILES:   S1CCC(NC(=O)C(CCC)C)C1=O
InChI:   InChI=1/C10H17NO2S/c1-3-4-7(2)9(12)11-8-5-6-14-10(8)13/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=25.2839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.317 g/mol  logS: -2.93425  SlogP: 1.5709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0532359  Sterimol/B1: 2.56101  Sterimol/B2: 3.21502  Sterimol/B3: 3.47476
  Sterimol/B4: 4.44602  Sterimol/L: 14.4864 
 
 Surface and Volume Properties
  Accessible surface: 436.033  Positive charged surface: 283.287  Negative charged surface: 152.745  Volume: 211.125
  Hydrophobic surface: 275.253  Hydrophilic surface: 160.78
 
 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.