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CHEMBRIDGE-ZINC00275782

MMsINC code: MMs00600056

Type: Neutral
Formula: C16H10FNO2
SMILES:   Fc1ccccc1C=1OC(=O)/C(/N=1)=C/c1ccccc1
InChI:   InChI=1/C16H10FNO2/c17-13-9-5-4-8-12(13)15-18-14(16(19)20-15)10-11-6-2-1-3-7-11/h1-10H/b14-10-

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Potential Energy
Epot(MMFF94)=80.046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.259 g/mol  logS: -5.35199  SlogP: 3.1702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000475669  Sterimol/B1: 2.12982  Sterimol/B2: 2.25186  Sterimol/B3: 2.57833
  Sterimol/B4: 7.81663  Sterimol/L: 14.8399 
 
 Surface and Volume Properties
  Accessible surface: 472.81  Positive charged surface: 241.163  Negative charged surface: 231.647  Volume: 245
  Hydrophobic surface: 392.732  Hydrophilic surface: 80.078
 
 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.