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NCID-ZINC01583629

 MMsINC code: MMs02240457
Type: Neutral
Formula: C19H14N2O3
SMILES:   Oc1c2c(C(=O)N(C)C2=O)c(Nc2ccccc2)c2c1cccc2
InChI:   InChI=1/C19H14N2O3/c1-21-18(23)14-15(19(21)24)17(22)13-10-6-5-9-12(13)16(14)20-11-7-3-2-4-8-11/h2-10,20,22H,1H3

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Potential Energy
Epot(MMFF94)=91.1464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.332 g/mol  logS: -5.07098  SlogP: 3.5148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150679  Sterimol/B1: 2.12095  Sterimol/B2: 3.37993  Sterimol/B3: 4.53147
  Sterimol/B4: 10.3624  Sterimol/L: 12.9627 
 
 Surface and Volume Properties
  Accessible surface: 525.889  Positive charged surface: 321.209  Negative charged surface: 197.959  Volume: 293.125
  Hydrophobic surface: 398.984  Hydrophilic surface: 126.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.