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ENAMINE-ZINC03473403

 MMsINC code: MMs01462274
Type: Neutral
Formula: C9H9FN2O2S
SMILES:   S(CC(=O)NC(=O)N)c1ccccc1F
InChI:   InChI=1/C9H9FN2O2S/c10-6-3-1-2-4-7(6)15-5-8(13)12-9(11)14/h1-4H,5H2,(H3,11,12,13,14)

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Potential Energy
Epot(MMFF94)=26.0983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.247 g/mol  logS: -3.20835  SlogP: 1.1127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00494466  Sterimol/B1: 2.37383  Sterimol/B2: 2.37627  Sterimol/B3: 3.28715
  Sterimol/B4: 4.8936  Sterimol/L: 14.5935 
 
 Surface and Volume Properties
  Accessible surface: 416.848  Positive charged surface: 222.602  Negative charged surface: 194.246  Volume: 189.625
  Hydrophobic surface: 220.832  Hydrophilic surface: 196.016
 
 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.