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NCID-ZINC01682756

 MMsINC code: MMs02316409
Type: Neutral
Formula: C10H11F2NO2
SMILES:   Fc1cc(NC(OC(C)C)=O)ccc1F
InChI:   InChI=1/C10H11F2NO2/c1-6(2)15-10(14)13-7-3-4-8(11)9(12)5-7/h3-6H,1-2H3,(H,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.2972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.199 g/mol  logS: -2.90817  SlogP: 2.9217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.07069  Sterimol/B1: 2.44732  Sterimol/B2: 3.96969  Sterimol/B3: 4.11212
  Sterimol/B4: 4.52812  Sterimol/L: 13.4944 
 
 Surface and Volume Properties
  Accessible surface: 414.301  Positive charged surface: 236.333  Negative charged surface: 177.968  Volume: 189.75
  Hydrophobic surface: 318.92  Hydrophilic surface: 95.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.