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PUBCHEM-ZINC03756775

 MMsINC code: MMs03071414
Type: Neutral
Formula: C18H14FNO3
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)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.5416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.312 g/mol  logS: -4.84383  SlogP: 4.05612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00595559  Sterimol/B1: 2.3692  Sterimol/B2: 2.4022  Sterimol/B3: 2.51057
  Sterimol/B4: 8.53874  Sterimol/L: 16.2103 
 
 Surface and Volume Properties
  Accessible surface: 531.266  Positive charged surface: 312.831  Negative charged surface: 207.533  Volume: 284.25
  Hydrophobic surface: 420.456  Hydrophilic surface: 110.81
 
 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


MMs03071415
PUBCHEM-ZINC03756775