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PUBCHEM-ZINC05907339

 MMsINC code: MMs03439195
Type: Neutral
Formula: C19H34N2O3
SMILES:   OC(=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)/t14-,17+/m1/s1

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Potential Energy
Epot(MMFF94)=53.2964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.492 g/mol  logS: -3.68243  SlogP: 4.1627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219818  Sterimol/B1: 2.53877  Sterimol/B2: 4.28098  Sterimol/B3: 6.33734
  Sterimol/B4: 6.87736  Sterimol/L: 14.3033 
 
 Surface and Volume Properties
  Accessible surface: 575.262  Positive charged surface: 426.586  Negative charged surface: 148.676  Volume: 351.75
  Hydrophobic surface: 457.727  Hydrophilic surface: 117.535
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03439196
PUBCHEM-ZINC05907339