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ENAMINE-ZINC03336310

 MMsINC code: MMs01380030
Type: Neutral
Formula: C15H12N2O2S
SMILES:   s1c2cc(ccc2nc1)C(=O)Nc1ccc(cc1O)C
InChI:   InChI=1/C15H12N2O2S/c1-9-2-4-11(13(18)6-9)17-15(19)10-3-5-12-14(7-10)20-8-16-12/h2-8,18H,1H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=75.3991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.339 g/mol  logS: -4.15195  SlogP: 3.56262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0127818  Sterimol/B1: 2.49246  Sterimol/B2: 2.77263  Sterimol/B3: 3.46888
  Sterimol/B4: 4.94828  Sterimol/L: 17.1911 
 
 Surface and Volume Properties
  Accessible surface: 504.635  Positive charged surface: 282.799  Negative charged surface: 221.836  Volume: 257.75
  Hydrophobic surface: 369.61  Hydrophilic surface: 135.025
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.