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PUBCHEM-ZINC06762372

 MMsINC code: MMs03855749
Type: Neutral
Formula: C23H42N2O5
SMILES:   O(CC(=O)NC1CCCCCCCCCCC1)CC(=O)NC(CC(C)C)C(OC)=O
InChI:   InChI=1/C23H42N2O5/c1-18(2)15-20(23(28)29-3)25-22(27)17-30-16-21(26)24-19-13-11-9-7-5-4-6-8-10-12-14-19/h18-20H,4-17H2,1-3H3,(H,24,26)(H,25,27)/t20-/m0/s1

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Potential Energy
Epot(MMFF94)=187.22 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.598 g/mol  logS: -6.60837  SlogP: 3.4964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0852598  Sterimol/B1: 2.34154  Sterimol/B2: 3.95607  Sterimol/B3: 6.00775
  Sterimol/B4: 8.29222  Sterimol/L: 19.4019 
 
 Surface and Volume Properties
  Accessible surface: 759.11  Positive charged surface: 580.207  Negative charged surface: 178.903  Volume: 444.25
  Hydrophobic surface: 619.996  Hydrophilic surface: 139.114
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.