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NANOSIN-ZINC04696542

 MMsINC code: MMs02209440
Type: Neutral
Formula: C19H15NO2
SMILES:   O1C(=N\C(=C\C=C\c2ccccc2)\C1=O)c1cc(ccc1)C
InChI:   InChI=1/C19H15NO2/c1-14-7-5-11-16(13-14)18-20-17(19(21)22-18)12-6-10-15-8-3-2-4-9-15/h2-13H,1H3/b10-6+,17-12-

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Potential Energy
Epot(MMFF94)=79.1065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.334 g/mol  logS: -6.3502  SlogP: 3.89572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00206034  Sterimol/B1: 2.10337  Sterimol/B2: 2.51224  Sterimol/B3: 4.56108
  Sterimol/B4: 6.30437  Sterimol/L: 18.0807 
 
 Surface and Volume Properties
  Accessible surface: 570.365  Positive charged surface: 293.849  Negative charged surface: 276.517  Volume: 291
  Hydrophobic surface: 489.503  Hydrophilic surface: 80.862
 
 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.