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CHEMBRIDGE-ZINC00280429

 MMsINC code: MMs00600617
Type: Neutral
Formula: C18H15ClFNO
SMILES:   Clc1cc(NCc2c3c(cccc3)c(OC)cc2)ccc1F
InChI:   InChI=1/C18H15ClFNO/c1-22-18-9-6-12(14-4-2-3-5-15(14)18)11-21-13-7-8-17(20)16(19)10-13/h2-10,21H,11H2,1H3

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Potential Energy
Epot(MMFF94)=83.8629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.775 g/mol  logS: -5.90677  SlogP: 5.5194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0759277  Sterimol/B1: 2.29764  Sterimol/B2: 3.53247  Sterimol/B3: 4.86091
  Sterimol/B4: 7.34053  Sterimol/L: 16.4858 
 
 Surface and Volume Properties
  Accessible surface: 551.017  Positive charged surface: 291.99  Negative charged surface: 248.685  Volume: 290.25
  Hydrophobic surface: 529.872  Hydrophilic surface: 21.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.