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CHEMBRIDGE-ZINC01177558

 MMsINC code: MMs00680954
Type: Neutral
Formula: C24H20N2O4
SMILES:   Oc1ccccc1NC(=O)c1cc2c(cc1)C(=O)N(c1c(cc(cc1C)C)C)C2=O
InChI:   InChI=1/C24H20N2O4/c1-13-10-14(2)21(15(3)11-13)26-23(29)17-9-8-16(12-18(17)24(26)30)22(28)25-19-6-4-5-7-20(19)27/h4-12,27H,1-3H3,(H,25,28)

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Potential Energy
Epot(MMFF94)=132.614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.434 g/mol  logS: -6.16149  SlogP: 4.37036  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0488848  Sterimol/B1: 3.16973  Sterimol/B2: 4.30697  Sterimol/B3: 4.65752
  Sterimol/B4: 4.76702  Sterimol/L: 21.0197 
 
 Surface and Volume Properties
  Accessible surface: 664.083  Positive charged surface: 363.017  Negative charged surface: 301.067  Volume: 379.25
  Hydrophobic surface: 525.669  Hydrophilic surface: 138.414
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.