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ASINEX-ZINC04270574

 MMsINC code: MMs00322329
Type: Neutral
Formula: C11H18N2O4S
SMILES:   S1CC2NC(=O)NC2(O)C1CCCCC(OC)=O
InChI:   InChI=1/C11H18N2O4S/c1-17-9(14)5-3-2-4-8-11(16)7(6-18-8)12-10(15)13-11/h7-8,16H,2-6H2,1H3,(H2,12,13,15)/t7-,8-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=27.326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.341 g/mol  logS: -1.64271  SlogP: 0.2052  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0611934  Sterimol/B1: 2.99628  Sterimol/B2: 4.21246  Sterimol/B3: 4.22378
  Sterimol/B4: 4.29816  Sterimol/L: 15.8072 
 
 Surface and Volume Properties
  Accessible surface: 492.72  Positive charged surface: 357.55  Negative charged surface: 135.17  Volume: 244.75
  Hydrophobic surface: 281.269  Hydrophilic surface: 211.451
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.