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ENAMINE-ZINC03219580

 MMsINC code: MMs01312548
Type: Neutral
Formula: C13H13F2NO3
SMILES:   Fc1cc(F)ccc1NC(=O)COC(=O)C1CC1C
InChI:   InChI=1/C13H13F2NO3/c1-7-4-9(7)13(18)19-6-12(17)16-11-3-2-8(14)5-10(11)15/h2-3,5,7,9H,4,6H2,1H3,(H,16,17)/t7-,9+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.5041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.247 g/mol  logS: -3.40918  SlogP: 2.1025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0217674  Sterimol/B1: 2.9017  Sterimol/B2: 2.99997  Sterimol/B3: 3.01277
  Sterimol/B4: 5.06211  Sterimol/L: 16.6425 
 
 Surface and Volume Properties
  Accessible surface: 489.404  Positive charged surface: 285.89  Negative charged surface: 203.514  Volume: 236
  Hydrophobic surface: 396.521  Hydrophilic surface: 92.883
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.