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AURORAFEINCHEMIE-ZINC05163132

 MMsINC code: MMs00472530
Type: Neutral
Formula: C15H26N2O3
SMILES:   OC(=O)C(NC(=O)NCCC=1CCCCC=1)CC(C)C
InChI:   InChI=1/C15H26N2O3/c1-11(2)10-13(14(18)19)17-15(20)16-9-8-12-6-4-3-5-7-12/h6,11,13H,3-5,7-10H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=8.00089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.384 g/mol  logS: -3.12694  SlogP: 2.6754  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0548846  Sterimol/B1: 2.54584  Sterimol/B2: 2.56772  Sterimol/B3: 4.3135
  Sterimol/B4: 7.10964  Sterimol/L: 17.0436 
 
 Surface and Volume Properties
  Accessible surface: 578.956  Positive charged surface: 415.748  Negative charged surface: 163.208  Volume: 293.375
  Hydrophobic surface: 380.837  Hydrophilic surface: 198.119
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 1
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Ions/Tautomers related molecules


MMs00472531
AURORAFEINCHEMIE-ZINC05163132