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AURORAFEINCHEMIE-ZINC05422584

 MMsINC code: MMs00475175
Type: Ionized
Formula: C14H25N2O3-
SMILES:   O=C([O-])C(NC(=O)NC1CCCCC1C)C(CC)C
InChI:   InChI=1/C14H26N2O3/c1-4-9(2)12(13(17)18)16-14(19)15-11-8-6-5-7-10(11)3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/p-1/t9-,10+,11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=2.45997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.365 g/mol  logS: -2.7795  SlogP: 1.0289  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.134246  Sterimol/B1: 2.59215  Sterimol/B2: 3.02429  Sterimol/B3: 4.47813
  Sterimol/B4: 6.97393  Sterimol/L: 13.2073 
 
 Surface and Volume Properties
  Accessible surface: 516.209  Positive charged surface: 351.965  Negative charged surface: 164.245  Volume: 279.5
  Hydrophobic surface: 352.773  Hydrophilic surface: 163.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 4
 
 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:


MMs00475174
AURORAFEINCHEMIE-ZINC05422584