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PUBCHEM-ZINC02042824

 MMsINC code: MMs02863786
Type: Neutral
Formula: C13H25NO3
SMILES:   O(C(C(=O)N(CCCC)CCCC)C)C(=O)C
InChI:   InChI=1/C13H25NO3/c1-5-7-9-14(10-8-6-2)13(16)11(3)17-12(4)15/h11H,5-10H2,1-4H3/t11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.7112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.347 g/mol  logS: -2.48826  SlogP: 2.3668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10054  Sterimol/B1: 2.64102  Sterimol/B2: 3.93309  Sterimol/B3: 5.28128
  Sterimol/B4: 7.85498  Sterimol/L: 13.5665 
 
 Surface and Volume Properties
  Accessible surface: 527.168  Positive charged surface: 370.267  Negative charged surface: 156.901  Volume: 264.5
  Hydrophobic surface: 401.802  Hydrophilic surface: 125.366
 
 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.