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ENAMINE-ZINC00126586

 MMsINC code: MMs01224749
Type: Neutral
Formula: C11H10F2N2O3
SMILES:   FC(F)Oc1ccc(cc1)C1(NC(=O)NC1=O)C
InChI:   InChI=1/C11H10F2N2O3/c1-11(8(16)14-10(17)15-11)6-2-4-7(5-3-6)18-9(12)13/h2-5,9H,1H3,(H2,14,15,16,17)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=39.4727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.208 g/mol  logS: -2.36984  SlogP: 2.074  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14602  Sterimol/B1: 2.0565  Sterimol/B2: 4.08757  Sterimol/B3: 4.29977
  Sterimol/B4: 5.73249  Sterimol/L: 12.8868 
 
 Surface and Volume Properties
  Accessible surface: 418.275  Positive charged surface: 210.266  Negative charged surface: 208.009  Volume: 206.125
  Hydrophobic surface: 175.565  Hydrophilic surface: 242.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.