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CHEMBRIDGE-ZINC02819326

 MMsINC code: MMs00718530
Type: Neutral
Formula: C25H26N2O3
SMILES:   O(C)c1cc(NC(=O)c2ccc(cc2)-c2ccccc2)ccc1NC(=O)CCCC
InChI:   InChI=1/C25H26N2O3/c1-3-4-10-24(28)27-22-16-15-21(17-23(22)30-2)26-25(29)20-13-11-19(12-14-20)18-8-6-5-7-9-18/h5-9,11-17H,3-4,10H2,1-2H3,(H,26,29)(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.494 g/mol  logS: -7.27329  SlogP: 5.7432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0222879  Sterimol/B1: 2.37885  Sterimol/B2: 2.48551  Sterimol/B3: 4.27855
  Sterimol/B4: 8.33675  Sterimol/L: 24.9311 
 
 Surface and Volume Properties
  Accessible surface: 741.569  Positive charged surface: 469.147  Negative charged surface: 261.592  Volume: 403.875
  Hydrophobic surface: 639.697  Hydrophilic surface: 101.872
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.