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ENAMINE-ZINC00077858

 MMsINC code: MMs01223220
Type: Neutral
Formula: C9H8FNO3
SMILES:   Fc1ccc(cc1)C(=O)NCC(O)=O
InChI:   InChI=1/C9H8FNO3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.6209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.165 g/mol  logS: -1.82183  SlogP: 0.6401  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00782326  Sterimol/B1: 2.37391  Sterimol/B2: 2.3762  Sterimol/B3: 2.6386
  Sterimol/B4: 5.30383  Sterimol/L: 13.3293 
 
 Surface and Volume Properties
  Accessible surface: 375.671  Positive charged surface: 195.608  Negative charged surface: 180.063  Volume: 167.25
  Hydrophobic surface: 228.847  Hydrophilic surface: 146.824
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs01223221
ENAMINE-ZINC00077858