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ENAMINE-ZINC03405078

 MMsINC code: MMs01422194
Type: Neutral
Formula: C12H13FN2O4
SMILES:   Fc1cc(ccc1)C(OCC(=O)NC(=O)NCC)=O
InChI:   InChI=1/C12H13FN2O4/c1-2-14-12(18)15-10(16)7-19-11(17)8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3,(H2,14,15,16,18)

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Potential Energy
Epot(MMFF94)=24.7232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.244 g/mol  logS: -2.7899  SlogP: 0.8282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00657521  Sterimol/B1: 2.37473  Sterimol/B2: 2.376  Sterimol/B3: 3.99639
  Sterimol/B4: 4.52422  Sterimol/L: 18.0772 
 
 Surface and Volume Properties
  Accessible surface: 509.122  Positive charged surface: 308.515  Negative charged surface: 200.607  Volume: 239.25
  Hydrophobic surface: 340.274  Hydrophilic surface: 168.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.