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PUBCHEM-ZINC04696070

 MMsINC code: MMs03158592
Type: Neutral
Formula: C15H14N2OS
SMILES:   s1cccc1CNC(=O)c1[nH]c2c(cc(cc2)C)c1
InChI:   InChI=1/C15H14N2OS/c1-10-4-5-13-11(7-10)8-14(17-13)15(18)16-9-12-3-2-6-19-12/h2-8,17H,9H2,1H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=23.5419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.356 g/mol  logS: -4.02232  SlogP: 3.73422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0239537  Sterimol/B1: 3.30017  Sterimol/B2: 3.91415  Sterimol/B3: 3.95834
  Sterimol/B4: 4.7716  Sterimol/L: 16.5598 
 
 Surface and Volume Properties
  Accessible surface: 521.766  Positive charged surface: 263.034  Negative charged surface: 253.104  Volume: 258.5
  Hydrophobic surface: 446.417  Hydrophilic surface: 75.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.