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PUBCHEM-ZINC03756775

 MMsINC code: MMs03071415
Type: Ionized
Formula: C18H13FNO3-
SMILES:   Fc1c2nc(cc(c2ccc1)C(=O)[O-])-c1cc(C)c(OC)cc1
InChI:   InChI=1/C18H14FNO3/c1-10-8-11(6-7-16(10)23-2)15-9-13(18(21)22)12-4-3-5-14(19)17(12)20-15/h3-9H,1-2H3,(H,21,22)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.3292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.304 g/mol  logS: -5.10428  SlogP: 2.72142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0240802  Sterimol/B1: 2.23208  Sterimol/B2: 2.45601  Sterimol/B3: 3.64417
  Sterimol/B4: 8.14467  Sterimol/L: 16.4448 
 
 Surface and Volume Properties
  Accessible surface: 532.502  Positive charged surface: 291.582  Negative charged surface: 231.128  Volume: 285.5
  Hydrophobic surface: 430.023  Hydrophilic surface: 102.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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:


MMs03071414
PUBCHEM-ZINC03756775