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CHEMBLOCK-ZINC01075617

 MMsINC code: MMs00514199
Type: Neutral
Formula: C23H16N2O3
SMILES:   Oc1ccc(NC2=C3c4c(cccc4N(C)C2=O)C(=O)c2c3cccc2)cc1
InChI:   InChI=1/C23H16N2O3/c1-25-18-8-4-7-17-19(18)20(15-5-2-3-6-16(15)22(17)27)21(23(25)28)24-13-9-11-14(26)12-10-13/h2-12,24,26H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=168.427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.392 g/mol  logS: -5.6084  SlogP: 3.60179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0964304  Sterimol/B1: 1.969  Sterimol/B2: 2.52522  Sterimol/B3: 4.64933
  Sterimol/B4: 10.9891  Sterimol/L: 14.6505 
 
 Surface and Volume Properties
  Accessible surface: 573.302  Positive charged surface: 337.552  Negative charged surface: 235.75  Volume: 339.125
  Hydrophobic surface: 448.904  Hydrophilic surface: 124.398
 
 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.