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PUBCHEM-ZINC05454078

 MMsINC code: MMs03273751
Type: Neutral
Formula: C23H41N3O4
SMILES:   O(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1
InChI:   InChI=1/C23H41N3O4/c1-16(2)15-30-23(29)25-20(17(3)4)21(27)26(19-13-9-6-10-14-19)22(28)24-18-11-7-5-8-12-18/h16-20H,5-15H2,1-4H3,(H,24,28)(H,25,29)/t20-/m1/s1

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Potential Energy
Epot(MMFF94)=70.2585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.598 g/mol  logS: -4.53882  SlogP: 4.5968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132441  Sterimol/B1: 2.25782  Sterimol/B2: 4.15705  Sterimol/B3: 6.74623
  Sterimol/B4: 7.87771  Sterimol/L: 20.3168 
 
 Surface and Volume Properties
  Accessible surface: 740.355  Positive charged surface: 544.309  Negative charged surface: 196.046  Volume: 436.625
  Hydrophobic surface: 579.343  Hydrophilic surface: 161.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.