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PUBCHEM-ZINC06524194

 MMsINC code: MMs03782279
Type: Neutral
Formula: C10H11F2NO4
SMILES:   Fc1cc(F)ncc1C1OC(CO)C(O)C1O
InChI:   InChI=1/C10H11F2NO4/c11-5-1-7(12)13-2-4(5)10-9(16)8(15)6(3-14)17-10/h1-2,6,8-10,14-16H,3H2/t6-,8-,9-,10+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.9265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.197 g/mol  logS: -0.68538  SlogP: -0.3907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101175  Sterimol/B1: 3.02927  Sterimol/B2: 3.31721  Sterimol/B3: 4.08127
  Sterimol/B4: 4.64077  Sterimol/L: 11.9342 
 
 Surface and Volume Properties
  Accessible surface: 412.772  Positive charged surface: 256.149  Negative charged surface: 156.622  Volume: 197.75
  Hydrophobic surface: 234.754  Hydrophilic surface: 178.018
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.