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CHEMBRIDGE-ZINC00671008

 MMsINC code: MMs00639049
Type: Neutral
Formula: C26H26N4O4
SMILES:   O=C(Nc1ccc(N(C(=O)C)C)cc1)c1ccc(cc1)C(=O)Nc1ccc(N(C(=O)C)C)c
c1
InChI:   InChI=1/C26H26N4O4/c1-17(31)29(3)23-13-9-21(10-14-23)27-25(33)19-5-7-20(8-6-19)26(34)28-22-11-15-24(16-12-22)30(4)18(2)32/h5-16H,1-4H3,(H,27,33)(H,28,34)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=185.767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.518 g/mol  logS: -5.53178  SlogP: 4.1566  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0148067  Sterimol/B1: 2.95136  Sterimol/B2: 2.96261  Sterimol/B3: 4.27986
  Sterimol/B4: 5.18409  Sterimol/L: 26.6154 
 
 Surface and Volume Properties
  Accessible surface: 780.67  Positive charged surface: 474.486  Negative charged surface: 306.185  Volume: 439
  Hydrophobic surface: 640.747  Hydrophilic surface: 139.923
 
 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.