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CHEMBRIDGE-ZINC04894437

 MMsINC code: MMs00809425
Type: Neutral
Formula: C26H36N2O2
SMILES:   O=C(NC(CCc1ccccc1)C)CCCCC(=O)NC(CCc1ccccc1)C
InChI:   InChI=1/C26H36N2O2/c1-21(17-19-23-11-5-3-6-12-23)27-25(29)15-9-10-16-26(30)28-22(2)18-20-24-13-7-4-8-14-24/h3-8,11-14,21-22H,9-10,15-20H2,1-2H3,(H,27,29)(H,28,30)/t21-,22+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.1138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.586 g/mol  logS: -4.81976  SlogP: 4.82174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210478  Sterimol/B1: 2.1478  Sterimol/B2: 2.69863  Sterimol/B3: 4.14889
  Sterimol/B4: 8.69523  Sterimol/L: 25.9836 
 
 Surface and Volume Properties
  Accessible surface: 828.952  Positive charged surface: 546.884  Negative charged surface: 282.068  Volume: 441.125
  Hydrophobic surface: 719.731  Hydrophilic surface: 109.221
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.