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PUBCHEM-ZINC03756773

 MMsINC code: MMs03071412
Type: Neutral
Formula: C18H14FNO3
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)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.312 g/mol  logS: -5.15728  SlogP: 4.05612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00785959  Sterimol/B1: 2.39687  Sterimol/B2: 2.51363  Sterimol/B3: 3.87325
  Sterimol/B4: 8.1907  Sterimol/L: 14.3403 
 
 Surface and Volume Properties
  Accessible surface: 522.01  Positive charged surface: 310.68  Negative charged surface: 200.427  Volume: 284.375
  Hydrophobic surface: 414.889  Hydrophilic surface: 107.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03071413
PUBCHEM-ZINC03756773