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ENAMINE-ZINC03512097

 MMsINC code: MMs01483603
Type: Neutral
Formula: C9H9FN2O2S
SMILES:   S(CC(=O)NC(=O)N)c1ccc(F)cc1
InChI:   InChI=1/C9H9FN2O2S/c10-6-1-3-7(4-2-6)15-5-8(13)12-9(11)14/h1-4H,5H2,(H3,11,12,13,14)

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Potential Energy
Epot(MMFF94)=21.1062 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: 0.00490512  Sterimol/B1: 2.37368  Sterimol/B2: 2.37643  Sterimol/B3: 3.21832
  Sterimol/B4: 4.68097  Sterimol/L: 14.8507 
 
 Surface and Volume Properties
  Accessible surface: 410.445  Positive charged surface: 217.282  Negative charged surface: 193.163  Volume: 192.375
  Hydrophobic surface: 217.198  Hydrophilic surface: 193.247
 
 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.