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PUBCHEM-ZINC01554723

 MMsINC code: MMs02814337
Type: Neutral
Formula: C15H18N2O3S2
SMILES:   S(C=1N(COCCO)C(=S)NC(=O)C=1CC)c1ccccc1
InChI:   InChI=1/C15H18N2O3S2/c1-2-12-13(19)16-15(21)17(10-20-9-8-18)14(12)22-11-6-4-3-5-7-11/h3-7,18H,2,8-10H2,1H3,(H,16,19,21)

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Potential Energy
Epot(MMFF94)=50.0555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.452 g/mol  logS: -5.12723  SlogP: 2.0834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.341479  Sterimol/B1: 2.26195  Sterimol/B2: 2.2873  Sterimol/B3: 7.65237
  Sterimol/B4: 8.54825  Sterimol/L: 13.6187 
 
 Surface and Volume Properties
  Accessible surface: 547.975  Positive charged surface: 325.066  Negative charged surface: 222.909  Volume: 304.25
  Hydrophobic surface: 328.804  Hydrophilic surface: 219.171
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.