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PUBCHEM-ZINC00608206

 MMsINC code: MMs02711732
Type: Neutral
Formula: C24H20N2O3
SMILES:   O=C1N(N(C(=O)C1CCC(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H20N2O3/c27-22(18-10-4-1-5-11-18)17-16-21-23(28)25(19-12-6-2-7-13-19)26(24(21)29)20-14-8-3-9-15-20/h1-15,21H,16-17H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.435 g/mol  logS: -5.5716  SlogP: 4.2607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0588913  Sterimol/B1: 3.79737  Sterimol/B2: 3.9843  Sterimol/B3: 5.42705
  Sterimol/B4: 5.9802  Sterimol/L: 18.4089 
 
 Surface and Volume Properties
  Accessible surface: 650.093  Positive charged surface: 357.326  Negative charged surface: 292.766  Volume: 370.875
  Hydrophobic surface: 561.451  Hydrophilic surface: 88.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02711733
PUBCHEM-ZINC00608206