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NCID-ZINC01578556

 MMsINC code: MMs02236550
Type: Neutral
Formula: C19H15NO2
SMILES:   O=C1C2=C(N(C(C)C)C(=O)c3c2cccc3)c2c1cccc2
InChI:   InChI=1/C19H15NO2/c1-11(2)20-17-13-8-4-5-9-14(13)18(21)16(17)12-7-3-6-10-15(12)19(20)22/h3-11H,1-2H3

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Potential Energy
Epot(MMFF94)=111.707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.334 g/mol  logS: -5.00445  SlogP: 3.6154  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0623831  Sterimol/B1: 2.33086  Sterimol/B2: 2.44724  Sterimol/B3: 4.9023
  Sterimol/B4: 8.40542  Sterimol/L: 13.8175 
 
 Surface and Volume Properties
  Accessible surface: 502.905  Positive charged surface: 278.8  Negative charged surface: 224.104  Volume: 280.25
  Hydrophobic surface: 407.193  Hydrophilic surface: 95.712
 
 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.