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AURORAFEINCHEMIE-ZINC04282523

 MMsINC code: MMs00469212
Type: Neutral
Formula: C14H15FN2O2S
SMILES:   S1CC2N(C1)C(=O)CN(CCc1cc(F)ccc1)C2=O
InChI:   InChI=1/C14H15FN2O2S/c15-11-3-1-2-10(6-11)4-5-16-7-13(18)17-9-20-8-12(17)14(16)19/h1-3,6,12H,4-5,7-9H2/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=76.4382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.35 g/mol  logS: -2.84311  SlogP: 1.11187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0377606  Sterimol/B1: 2.73745  Sterimol/B2: 3.22179  Sterimol/B3: 3.35149
  Sterimol/B4: 5.36019  Sterimol/L: 15.7387 
 
 Surface and Volume Properties
  Accessible surface: 499.086  Positive charged surface: 291.422  Negative charged surface: 207.664  Volume: 262.25
  Hydrophobic surface: 369.763  Hydrophilic surface: 129.323
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.