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PUBCHEM-ZINC00445789

 MMsINC code: MMs02685002
Type: Neutral
Formula: C18H14FNO2
SMILES:   Fc1cc(ccc1)C=1OC(=O)/C(/N=1)=C/c1cc(ccc1C)C
InChI:   InChI=1/C18H14FNO2/c1-11-6-7-12(2)14(8-11)10-16-18(21)22-17(20-16)13-4-3-5-15(19)9-13/h3-10H,1-2H3/b16-10-

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Potential Energy
Epot(MMFF94)=84.9604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.313 g/mol  logS: -6.29983  SlogP: 3.78704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0124137  Sterimol/B1: 2.26697  Sterimol/B2: 2.5282  Sterimol/B3: 3.11016
  Sterimol/B4: 9.20524  Sterimol/L: 14.8968 
 
 Surface and Volume Properties
  Accessible surface: 517.83  Positive charged surface: 262.066  Negative charged surface: 255.764  Volume: 278.5
  Hydrophobic surface: 439.626  Hydrophilic surface: 78.204
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.