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ENAMINE-ZINC03517100

 MMsINC code: MMs01486753
Type: Neutral
Formula: C19H14N2O3
SMILES:   o1c2cc(NC(=O)c3ncccc3)c(OC)cc2c2c1cccc2
InChI:   InChI=1/C19H14N2O3/c1-23-18-10-13-12-6-2-3-8-16(12)24-17(13)11-15(18)21-19(22)14-7-4-5-9-20-14/h2-11H,1H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.9008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.332 g/mol  logS: -5.59204  SlogP: 4.2419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0112435  Sterimol/B1: 2.36086  Sterimol/B2: 2.41682  Sterimol/B3: 2.85824
  Sterimol/B4: 8.63049  Sterimol/L: 17.9033 
 
 Surface and Volume Properties
  Accessible surface: 564.683  Positive charged surface: 356.672  Negative charged surface: 196.08  Volume: 297
  Hydrophobic surface: 492.374  Hydrophilic surface: 72.309
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.