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SPECS-ZINC04667837

 MMsINC code: MMs03943210
Type: Neutral
Formula: C16H13FN2O2
SMILES:   Fc1cc(NC(=O)Cc2noc3c2cc(cc3)C)ccc1
InChI:   InChI=1/C16H13FN2O2/c1-10-5-6-15-13(7-10)14(19-21-15)9-16(20)18-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=65.1421 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.29 g/mol  logS: -4.83119  SlogP: 3.45649  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112225  Sterimol/B1: 2.05662  Sterimol/B2: 3.59285  Sterimol/B3: 4.26143
  Sterimol/B4: 7.45321  Sterimol/L: 14.5039 
 
 Surface and Volume Properties
  Accessible surface: 515.438  Positive charged surface: 274.787  Negative charged surface: 236.708  Volume: 260.75
  Hydrophobic surface: 452.125  Hydrophilic surface: 63.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.