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AURORAFEINCHEMIE-ZINC05349055

 MMsINC code: MMs00474659
Type: Ionized
Formula: C14H25N2O3-
SMILES:   O=C([O-])C(NC(=O)N1CC(CC(C1)C)C)CC(C)C
InChI:   InChI=1/C14H26N2O3/c1-9(2)5-12(13(17)18)15-14(19)16-7-10(3)6-11(4)8-16/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)/p-1/t10-,11+,12-/m0/s1

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Potential Energy
Epot(MMFF94)=15.4361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.365 g/mol  logS: -2.47174  SlogP: 0.8385  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118613  Sterimol/B1: 2.36016  Sterimol/B2: 3.88603  Sterimol/B3: 4.48836
  Sterimol/B4: 7.37975  Sterimol/L: 13.5362 
 
 Surface and Volume Properties
  Accessible surface: 533.426  Positive charged surface: 374.549  Negative charged surface: 158.877  Volume: 279.625
  Hydrophobic surface: 355.667  Hydrophilic surface: 177.759
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 3
 
 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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Parent related molecule:


MMs00474658
AURORAFEINCHEMIE-ZINC05349055