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CHEMBRIDGE-ZINC01107979

 MMsINC code: MMs00660814
Type: Neutral
Formula: C24H26N2O2
SMILES:   O=C(N\C(=C\C=C\c1ccccc1)\C(=O)NC1CCCCC1)c1ccccc1
InChI:   InChI=1/C24H26N2O2/c27-23(20-14-6-2-7-15-20)26-22(18-10-13-19-11-4-1-5-12-19)24(28)25-21-16-8-3-9-17-21/h1-2,4-7,10-15,18,21H,3,8-9,16-17H2,(H,25,28)(H,26,27)/b13-10+,22-18+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.3688 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -6.33326  SlogP: 4.4626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0337466  Sterimol/B1: 2.99307  Sterimol/B2: 3.81842  Sterimol/B3: 3.86208
  Sterimol/B4: 9.48676  Sterimol/L: 18.778 
 
 Surface and Volume Properties
  Accessible surface: 671.757  Positive charged surface: 403.564  Negative charged surface: 268.192  Volume: 385.625
  Hydrophobic surface: 610.934  Hydrophilic surface: 60.823
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.