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PUBCHEM-ZINC05647297

 MMsINC code: MMs03334171
Type: Neutral
Formula: C19H14N2O2S
SMILES:   S1C(\C=C/2\c3c(N=C\2)cccc3)=C(O)N(c2ccc(cc2)C)C1=O
InChI:   InChI=1/C19H14N2O2S/c1-12-6-8-14(9-7-12)21-18(22)17(24-19(21)23)10-13-11-20-16-5-3-2-4-15(13)16/h2-11,22H,1H3/b13-10+

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Potential Energy
Epot(MMFF94)=128.805 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.399 g/mol  logS: -5.44627  SlogP: 5.19482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0211344  Sterimol/B1: 2.98773  Sterimol/B2: 3.40419  Sterimol/B3: 3.43124
  Sterimol/B4: 5.42122  Sterimol/L: 18.8535 
 
 Surface and Volume Properties
  Accessible surface: 566.222  Positive charged surface: 296.132  Negative charged surface: 270.091  Volume: 309.375
  Hydrophobic surface: 421.114  Hydrophilic surface: 145.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.