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NCID-ZINC04777432

 MMsINC code: MMs02404662
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-/m0/s1

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Potential Energy
Epot(MMFF94)=74.0372 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: 0.0754224  Sterimol/B1: 3.60231  Sterimol/B2: 3.77457  Sterimol/B3: 5.51065
  Sterimol/B4: 7.292  Sterimol/L: 20.2833 
 
 Surface and Volume Properties
  Accessible surface: 723.885  Positive charged surface: 534.042  Negative charged surface: 189.843  Volume: 436.25
  Hydrophobic surface: 565.507  Hydrophilic surface: 158.378
 
 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.