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AURORAFEINCHEMIE-ZINC05303325

 MMsINC code: MMs00473587
Type: Ionized
Formula: C19H33N2O3-
SMILES:   O=C([O-])C(NC(=O)N(C1CCCCC1)C1CCCCC1)C(CC)C
InChI:   InChI=1/C19H34N2O3/c1-3-14(2)17(18(22)23)20-19(24)21(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h14-17H,3-13H2,1-2H3,(H,20,24)(H,22,23)/p-1/t14-,17+/m0/s1

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Potential Energy
Epot(MMFF94)=21.5198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.484 g/mol  logS: -3.94288  SlogP: 2.828  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.222149  Sterimol/B1: 2.43072  Sterimol/B2: 3.21452  Sterimol/B3: 5.35229
  Sterimol/B4: 10.5381  Sterimol/L: 13.0621 
 
 Surface and Volume Properties
  Accessible surface: 587.951  Positive charged surface: 433.797  Negative charged surface: 154.154  Volume: 358.125
  Hydrophobic surface: 475.104  Hydrophilic surface: 112.847
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs00473586
AURORAFEINCHEMIE-ZINC05303325