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NCID-ZINC01661264

MMsINC code: MMs02298385

Type: Ionized
Formula: C13H13FNO4-
SMILES:   Fc1ccc(cc1)C(=O)CCC(NC(=O)C)C(=O)[O-]
InChI:   InChI=1/C13H14FNO4/c1-8(16)15-11(13(18)19)6-7-12(17)9-2-4-10(14)5-3-9/h2-5,11H,6-7H2,1H3,(H,15,16)(H,18,19)/p-1/t11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=45.0637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.248 g/mol  logS: -2.50468  SlogP: 0.0432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0559703  Sterimol/B1: 2.43857  Sterimol/B2: 2.44654  Sterimol/B3: 3.77674
  Sterimol/B4: 7.42956  Sterimol/L: 13.9052 
 
 Surface and Volume Properties
  Accessible surface: 480.208  Positive charged surface: 242.905  Negative charged surface: 237.302  Volume: 237.125
  Hydrophobic surface: 325.052  Hydrophilic surface: 155.156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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MMs02298384
NCID-ZINC01661264