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ENAMINE-ZINC05658044

 MMsINC code: MMs01631171
Type: Neutral
Formula: C24H20N2O2
SMILES:   O=C/1N(c2ccc(cc2C)C)C(=O)c2c(cccc2)\C\1=C/Nc1ccccc1
InChI:   InChI=1/C24H20N2O2/c1-16-12-13-22(17(2)14-16)26-23(27)20-11-7-6-10-19(20)21(24(26)28)15-25-18-8-4-3-5-9-18/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)=133.795 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: 0.0720915  Sterimol/B1: 3.57662  Sterimol/B2: 3.65747  Sterimol/B3: 4.82056
  Sterimol/B4: 10.2302  Sterimol/L: 16.689 
 
 Surface and Volume Properties
  Accessible surface: 637.172  Positive charged surface: 333.618  Negative charged surface: 303.554  Volume: 364.125
  Hydrophobic surface: 594.18  Hydrophilic surface: 42.992
 
 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


MMs01631172
ENAMINE-ZINC05658044