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CHEMDIV-ZINC05074099

 MMsINC code: MMs00988286
Type: Neutral
Formula: C23H20N2O4
SMILES:   OC(=O)C(NC(=O)c1ccccc1NC(=O)c1ccccc1)Cc1ccccc1
InChI:   InChI=1/C23H20N2O4/c26-21(17-11-5-2-6-12-17)24-19-14-8-7-13-18(19)22(27)25-20(23(28)29)15-16-9-3-1-4-10-16/h1-14,20H,15H2,(H,24,26)(H,25,27)(H,28,29)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.423 g/mol  logS: -5.32621  SlogP: 3.36457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238231  Sterimol/B1: 2.54406  Sterimol/B2: 4.4241  Sterimol/B3: 7.31473
  Sterimol/B4: 8.67724  Sterimol/L: 14.5702 
 
 Surface and Volume Properties
  Accessible surface: 653.846  Positive charged surface: 361.142  Negative charged surface: 292.704  Volume: 370.125
  Hydrophobic surface: 519.622  Hydrophilic surface: 134.224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00988287
CHEMDIV-ZINC05074099