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NCID-ZINC01687957

 MMsINC code: MMs02320580
Type: Neutral
Formula: C13H25NO3
SMILES:   O(C(=O)CCC(=O)N(CCC)CCC)CCC
InChI:   InChI=1/C13H25NO3/c1-4-9-14(10-5-2)12(15)7-8-13(16)17-11-6-3/h4-11H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.39457 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.347 g/mol  logS: -1.41607  SlogP: 2.3684  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0344937  Sterimol/B1: 2.26306  Sterimol/B2: 2.89883  Sterimol/B3: 3.04016
  Sterimol/B4: 8.14943  Sterimol/L: 17.4487 
 
 Surface and Volume Properties
  Accessible surface: 554.513  Positive charged surface: 411.827  Negative charged surface: 142.686  Volume: 265.5
  Hydrophobic surface: 419.657  Hydrophilic surface: 134.856
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.