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ENAMINE-ZINC03512646

 MMsINC code: MMs01484024
Type: Neutral
Formula: C13H12F2N2O4
SMILES:   Fc1cccc(F)c1C(OCC(=O)NC(=O)NCC=C)=O
InChI:   InChI=1/C13H12F2N2O4/c1-2-6-16-13(20)17-10(18)7-21-12(19)11-8(14)4-3-5-9(11)15/h2-5H,1,6-7H2,(H2,16,17,18,20)

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Potential Energy
Epot(MMFF94)=23.6871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.245 g/mol  logS: -3.2539  SlogP: 1.1334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0381858  Sterimol/B1: 3.12291  Sterimol/B2: 3.42857  Sterimol/B3: 3.50652
  Sterimol/B4: 4.27181  Sterimol/L: 19.0713 
 
 Surface and Volume Properties
  Accessible surface: 543.708  Positive charged surface: 291.094  Negative charged surface: 252.615  Volume: 250.25
  Hydrophobic surface: 337.559  Hydrophilic surface: 206.149
 
 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.