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ENAMINE-ZINC03392853

 MMsINC code: MMs01414807
Type: Neutral
Formula: C12H11F2NO3
SMILES:   Fc1cc(NC(=O)COC(=O)C2CC2)ccc1F
InChI:   InChI=1/C12H11F2NO3/c13-9-4-3-8(5-10(9)14)15-11(16)6-18-12(17)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.6163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.22 g/mol  logS: -2.89396  SlogP: 1.8565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0302086  Sterimol/B1: 2.54248  Sterimol/B2: 3.11535  Sterimol/B3: 3.63892
  Sterimol/B4: 4.64211  Sterimol/L: 15.9904 
 
 Surface and Volume Properties
  Accessible surface: 474.343  Positive charged surface: 260.038  Negative charged surface: 214.305  Volume: 219.75
  Hydrophobic surface: 347.697  Hydrophilic surface: 126.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.