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PUBCHEM-ZINC05591349

 MMsINC code: MMs03315906
Type: Neutral
Formula: C13H23NO3
SMILES:   O(C(=O)C1CCN(CC1)C(=O)C(CCC)C)C
InChI:   InChI=1/C13H23NO3/c1-4-5-10(2)12(15)14-8-6-11(7-9-14)13(16)17-3/h10-11H,4-9H2,1-3H3/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.0037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.331 g/mol  logS: -1.81549  SlogP: 1.8342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557814  Sterimol/B1: 3.38282  Sterimol/B2: 3.45393  Sterimol/B3: 3.60318
  Sterimol/B4: 4.58887  Sterimol/L: 16.43 
 
 Surface and Volume Properties
  Accessible surface: 494.301  Positive charged surface: 385.892  Negative charged surface: 108.409  Volume: 255.125
  Hydrophobic surface: 389.163  Hydrophilic surface: 105.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.