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ENAMINE-ZINC03220615

 MMsINC code: MMs01313131
Type: Neutral
Formula: C24H20N2O2
SMILES:   O=C/1N(C(=O)c2c(cccc2)\C\1=C\Nc1cc(ccc1C)C)c1ccccc1
InChI:   InChI=1/C24H20N2O2/c1-16-12-13-17(2)22(14-16)25-15-21-19-10-6-7-11-20(19)23(27)26(24(21)28)18-8-4-3-5-9-18/h3-15,25H,1-2H3/b21-15-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.436 g/mol  logS: -6.26594  SlogP: 4.94344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0353217  Sterimol/B1: 3.45182  Sterimol/B2: 3.50347  Sterimol/B3: 6.40735
  Sterimol/B4: 6.64783  Sterimol/L: 16.0299 
 
 Surface and Volume Properties
  Accessible surface: 648.997  Positive charged surface: 347.418  Negative charged surface: 301.579  Volume: 361.25
  Hydrophobic surface: 602.034  Hydrophilic surface: 46.963
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules


MMs01313132
ENAMINE-ZINC03220615