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PUBCHEM-ZINC06039648

 MMsINC code: MMs03508485
Type: Neutral
Formula: C23H42N2O2
SMILES:   O=C(NC1CCC(CC1)CC1CCC(NC(=O)CCCC)CC1)CCCC
InChI:   InChI=1/C23H42N2O2/c1-3-5-7-22(26)24-20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)25-23(27)8-6-4-2/h18-21H,3-17H2,1-2H3,(H,24,26)(H,25,27)/t18-,19-,20-,21+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.1551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.601 g/mol  logS: -5.62144  SlogP: 5.1069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0429736  Sterimol/B1: 2.66665  Sterimol/B2: 4.59774  Sterimol/B3: 5.43999
  Sterimol/B4: 5.49285  Sterimol/L: 24.8185 
 
 Surface and Volume Properties
  Accessible surface: 760.325  Positive charged surface: 596.157  Negative charged surface: 164.168  Volume: 419.25
  Hydrophobic surface: 638.667  Hydrophilic surface: 121.658
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.