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PUBCHEM-ZINC05729835

 MMsINC code: MMs03361969
Type: Neutral
Formula: C18H16FNO3
SMILES:   Fc1ccccc1C(O\N=C/1\CCCc2cc(OC)ccc\12)=O
InChI:   InChI=1/C18H16FNO3/c1-22-13-9-10-14-12(11-13)5-4-8-17(14)20-23-18(21)15-6-2-3-7-16(15)19/h2-3,6-7,9-11H,4-5,8H2,1H3/b20-17-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.328 g/mol  logS: -4.90739  SlogP: 3.73167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0270562  Sterimol/B1: 2.4962  Sterimol/B2: 2.68467  Sterimol/B3: 3.29052
  Sterimol/B4: 9.8552  Sterimol/L: 14.3198 
 
 Surface and Volume Properties
  Accessible surface: 544.626  Positive charged surface: 332.868  Negative charged surface: 211.757  Volume: 289.375
  Hydrophobic surface: 476.471  Hydrophilic surface: 68.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.