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CHEMBRIDGE-ZINC04275690

 MMsINC code: MMs00767184
Type: Neutral
Formula: C14H13NO3S
SMILES:   s1ccc(C(OC)=O)c1NC(=O)Cc1ccccc1
InChI:   InChI=1/C14H13NO3S/c1-18-14(17)11-7-8-19-13(11)15-12(16)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=60.7219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.328 g/mol  logS: -3.76308  SlogP: 2.71587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0547122  Sterimol/B1: 2.04301  Sterimol/B2: 3.61569  Sterimol/B3: 3.62043
  Sterimol/B4: 7.38772  Sterimol/L: 16.3572 
 
 Surface and Volume Properties
  Accessible surface: 508.833  Positive charged surface: 307.194  Negative charged surface: 201.639  Volume: 252.375
  Hydrophobic surface: 444.479  Hydrophilic surface: 64.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.