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PUBCHEM-ZINC03756773

 MMsINC code: MMs03071413
Type: Ionized
Formula: C18H13FNO3-
SMILES:   Fc1c2nc(cc(c2ccc1)C(=O)[O-])-c1cc(ccc1OC)C
InChI:   InChI=1/C18H14FNO3/c1-10-6-7-16(23-2)13(8-10)15-9-12(18(21)22)11-4-3-5-14(19)17(11)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)=87.9513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.304 g/mol  logS: -5.41773  SlogP: 2.72142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.091881  Sterimol/B1: 2.35872  Sterimol/B2: 4.011  Sterimol/B3: 4.93769
  Sterimol/B4: 7.01678  Sterimol/L: 14.4664 
 
 Surface and Volume Properties
  Accessible surface: 521.301  Positive charged surface: 279.512  Negative charged surface: 234.116  Volume: 282.875
  Hydrophobic surface: 418.516  Hydrophilic surface: 102.785
 
 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:


MMs03071412
PUBCHEM-ZINC03756773