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PUBCHEM-ZINC05467707

 MMsINC code: MMs03278226
Type: Neutral
Formula: C13H25NO2
SMILES:   O1CCCC1C(=O)NCC(CCCC)CC
InChI:   InChI=1/C13H25NO2/c1-3-5-7-11(4-2)10-14-13(15)12-8-6-9-16-12/h11-12H,3-10H2,1-2H3,(H,14,15)/t11-,12-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.3321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.348 g/mol  logS: -3.24976  SlogP: 2.498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0454719  Sterimol/B1: 2.32206  Sterimol/B2: 2.67778  Sterimol/B3: 3.3119
  Sterimol/B4: 7.90655  Sterimol/L: 15.5392 
 
 Surface and Volume Properties
  Accessible surface: 514.561  Positive charged surface: 397.513  Negative charged surface: 117.048  Volume: 252.75
  Hydrophobic surface: 412.347  Hydrophilic surface: 102.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.