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ENAMINE-ZINC06579490

 MMsINC code: MMs01676454
Type: Neutral
Formula: C24H16N2O2
SMILES:   O=C/1Nc2c(cccc2)\C\1=C\c1cc(ccc1)\C=C/1\c2c(NC\1=O)cccc2
InChI:   InChI=1/C24H16N2O2/c27-23-19(17-8-1-3-10-21(17)25-23)13-15-6-5-7-16(12-15)14-20-18-9-2-4-11-22(18)26-24(20)28/h1-14H,(H,25,27)(H,26,28)/b19-13-,20-14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.404 g/mol  logS: -6.60048  SlogP: 4.672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0495467  Sterimol/B1: 2.67443  Sterimol/B2: 2.70086  Sterimol/B3: 4.83861
  Sterimol/B4: 7.33217  Sterimol/L: 17.9665 
 
 Surface and Volume Properties
  Accessible surface: 605.381  Positive charged surface: 340.962  Negative charged surface: 264.419  Volume: 346.5
  Hydrophobic surface: 466.395  Hydrophilic surface: 138.986
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.