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ENAMINE-ZINC03886833

 MMsINC code: MMs01528148
Type: Ionized
Formula: C11H7FNO2-
SMILES:   Fc1cc2nc(C)c(cc2cc1)C(=O)[O-]
InChI:   InChI=1/C11H8FNO2/c1-6-9(11(14)15)4-7-2-3-8(12)5-10(7)13-6/h2-5H,1H3,(H,14,15)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.7012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.18 g/mol  logS: -2.81164  SlogP: 1.04582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0129437  Sterimol/B1: 2.31764  Sterimol/B2: 2.43247  Sterimol/B3: 2.54043
  Sterimol/B4: 6.08064  Sterimol/L: 11.5427 
 
 Surface and Volume Properties
  Accessible surface: 374.864  Positive charged surface: 172.502  Negative charged surface: 197.339  Volume: 178
  Hydrophobic surface: 278.76  Hydrophilic surface: 96.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs01528147
ENAMINE-ZINC03886833