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ENAMINE-ZINC00359815

 MMsINC code: MMs01228857
Type: Neutral
Formula: C18H15FN2O2
SMILES:   Fc1cc(ccc1)C=1OC(=O)/C(/N=1)=C/c1ccc(N(C)C)cc1
InChI:   InChI=1/C18H15FN2O2/c1-21(2)15-8-6-12(7-9-15)10-16-18(22)23-17(20-16)13-4-3-5-14(19)11-13/h3-11H,1-2H3/b16-10-

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Potential Energy
Epot(MMFF94)=101.263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.328 g/mol  logS: -5.2794  SlogP: 3.2362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00579949  Sterimol/B1: 2.40708  Sterimol/B2: 2.65178  Sterimol/B3: 2.68498
  Sterimol/B4: 8.70394  Sterimol/L: 16.3231 
 
 Surface and Volume Properties
  Accessible surface: 547.971  Positive charged surface: 325.273  Negative charged surface: 222.698  Volume: 290.75
  Hydrophobic surface: 468.653  Hydrophilic surface: 79.318
 
 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.