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PUBCHEM-ZINC05821178

 MMsINC code: MMs03400209
Type: Neutral
Formula: C13H24N2O2
SMILES:   O=C1NC(CC1)C(=O)N(CCCC)CCCC
InChI:   InChI=1/C13H24N2O2/c1-3-5-9-15(10-6-4-2)13(17)11-7-8-12(16)14-11/h11H,3-10H2,1-2H3,(H,14,16)/t11-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.5882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.347 g/mol  logS: -2.15062  SlogP: 1.6938  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136134  Sterimol/B1: 2.14112  Sterimol/B2: 3.4024  Sterimol/B3: 3.42177
  Sterimol/B4: 10.0374  Sterimol/L: 12.767 
 
 Surface and Volume Properties
  Accessible surface: 510.617  Positive charged surface: 368.485  Negative charged surface: 142.132  Volume: 258.625
  Hydrophobic surface: 360.884  Hydrophilic surface: 149.733
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.