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CHEMBRIDGE-ZINC01176430

 MMsINC code: MMs00680615
Type: Neutral
Formula: C24H23N3O4
SMILES:   O(C)c1ccc(NC(=O)C(NC(=O)c2ccccc2NC(=O)c2ccccc2)C)cc1
InChI:   InChI=1/C24H23N3O4/c1-16(22(28)26-18-12-14-19(31-2)15-13-18)25-24(30)20-10-6-7-11-21(20)27-23(29)17-8-4-3-5-9-17/h3-16H,1-2H3,(H,25,30)(H,26,28)(H,27,29)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.465 g/mol  logS: -5.87502  SlogP: 3.7045  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0327158  Sterimol/B1: 2.31787  Sterimol/B2: 4.15684  Sterimol/B3: 5.60556
  Sterimol/B4: 8.13779  Sterimol/L: 21.8392 
 
 Surface and Volume Properties
  Accessible surface: 718.865  Positive charged surface: 435.393  Negative charged surface: 283.472  Volume: 399.125
  Hydrophobic surface: 604.269  Hydrophilic surface: 114.596
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.