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CHEMBRIDGE-ZINC00143366

 MMsINC code: MMs00591267
Type: Neutral
Formula: C15H14N2OS
SMILES:   S=C(Nc1ccc(cc1)C(=O)C)Nc1ccccc1
InChI:   InChI=1/C15H14N2OS/c1-11(18)12-7-9-14(10-8-12)17-15(19)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,19)

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Potential Energy
Epot(MMFF94)=128.525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.356 g/mol  logS: -4.78096  SlogP: 3.6981  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464231  Sterimol/B1: 2.27507  Sterimol/B2: 2.75727  Sterimol/B3: 3.73231
  Sterimol/B4: 5.95787  Sterimol/L: 16.0424 
 
 Surface and Volume Properties
  Accessible surface: 506.176  Positive charged surface: 278.316  Negative charged surface: 227.86  Volume: 258.375
  Hydrophobic surface: 380.29  Hydrophilic surface: 125.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.