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NCID-ZINC01583630

 MMsINC code: MMs02240458
Type: Neutral
Formula: C19H14N2O3
SMILES:   Oc1c2c(C(=O)N(C2=O)c2ccccc2)c(NC)c2c1cccc2
InChI:   InChI=1/C19H14N2O3/c1-20-16-12-9-5-6-10-13(12)17(22)15-14(16)18(23)21(19(15)24)11-7-3-2-4-8-11/h2-10,20,22H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.332 g/mol  logS: -5.07098  SlogP: 3.3877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0143971  Sterimol/B1: 2.07798  Sterimol/B2: 2.55256  Sterimol/B3: 3.20465
  Sterimol/B4: 8.1079  Sterimol/L: 16.21 
 
 Surface and Volume Properties
  Accessible surface: 520.056  Positive charged surface: 310.858  Negative charged surface: 199.528  Volume: 293.375
  Hydrophobic surface: 409.661  Hydrophilic surface: 110.395
 
 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.