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ENAMINE-ZINC01518738

 MMsINC code: MMs01242642
Type: Neutral
Formula: C14H14N2O3S
SMILES:   S\1C=CN(CC(=O)c2ccc(OC)cc2)/C/1=N/C(=O)C
InChI:   InChI=1/C14H14N2O3S/c1-10(17)15-14-16(7-8-20-14)9-13(18)11-3-5-12(19-2)6-4-11/h3-8H,9H2,1-2H3/b15-14-

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Potential Energy
Epot(MMFF94)=79.9453 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.343 g/mol  logS: -2.93648  SlogP: 2.3004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0898194  Sterimol/B1: 1.97623  Sterimol/B2: 3.08502  Sterimol/B3: 4.17633
  Sterimol/B4: 8.52318  Sterimol/L: 15.3771 
 
 Surface and Volume Properties
  Accessible surface: 524.491  Positive charged surface: 310.433  Negative charged surface: 214.058  Volume: 265.875
  Hydrophobic surface: 405.733  Hydrophilic surface: 118.758
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.