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AURORAFEINCHEMIE-ZINC05216284

 MMsINC code: MMs00472926
Type: Neutral
Formula: C15H26N2O3
SMILES:   OC(=O)C(NC(=O)NCCC=1CCCCC=1)C(CC)C
InChI:   InChI=1/C15H26N2O3/c1-3-11(2)13(14(18)19)17-15(20)16-10-9-12-7-5-4-6-8-12/h7,11,13H,3-6,8-10H2,1-2H3,(H,18,19)(H2,16,17,20)/t11-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=10.2982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.384 g/mol  logS: -2.81349  SlogP: 2.6754  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0530633  Sterimol/B1: 2.55702  Sterimol/B2: 3.23806  Sterimol/B3: 3.54267
  Sterimol/B4: 7.38643  Sterimol/L: 16.9932 
 
 Surface and Volume Properties
  Accessible surface: 566.936  Positive charged surface: 405.747  Negative charged surface: 161.189  Volume: 290.25
  Hydrophobic surface: 384.527  Hydrophilic surface: 182.409
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00472927
AURORAFEINCHEMIE-ZINC05216284