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ENAMINE-ZINC06114291

 MMsINC code: MMs01658077
Type: Neutral
Formula: C10H11FN2S
SMILES:   S1\C(\NCC1C)=N/c1ccc(F)cc1
InChI:   InChI=1/C10H11FN2S/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=25.9726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.276 g/mol  logS: -3.50061  SlogP: 2.5381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0575723  Sterimol/B1: 2.25838  Sterimol/B2: 3.49404  Sterimol/B3: 4.06149
  Sterimol/B4: 4.35608  Sterimol/L: 13.0327 
 
 Surface and Volume Properties
  Accessible surface: 402.164  Positive charged surface: 226.303  Negative charged surface: 175.861  Volume: 193
  Hydrophobic surface: 302.663  Hydrophilic surface: 99.501
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.