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CHEMBLOCK-ZINC04359288

 MMsINC code: MMs00549263
Type: Neutral
Formula: C19H16N2O3
SMILES:   OC(=O)c1ccccc1NC(=O)CNc1cc2c(cc1)cccc2
InChI:   InChI=1/C19H16N2O3/c22-18(21-17-8-4-3-7-16(17)19(23)24)12-20-15-10-9-13-5-1-2-6-14(13)11-15/h1-11,20H,12H2,(H,21,22)(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.348 g/mol  logS: -5.02505  SlogP: 3.5886  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00962206  Sterimol/B1: 2.57714  Sterimol/B2: 2.70358  Sterimol/B3: 4.60912
  Sterimol/B4: 5.00074  Sterimol/L: 18.4835 
 
 Surface and Volume Properties
  Accessible surface: 577.875  Positive charged surface: 322.887  Negative charged surface: 243.916  Volume: 302.25
  Hydrophobic surface: 438.299  Hydrophilic surface: 139.576
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00549264
CHEMBLOCK-ZINC04359288