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PUBCHEM-ZINC06273036

 MMsINC code: MMs03651887
Type: Neutral
Formula: C14H25NO3
SMILES:   O(C(=O)C1CCN(CC1)C(=O)C(CC)CC)CC
InChI:   InChI=1/C14H25NO3/c1-4-11(5-2)13(16)15-9-7-12(8-10-15)14(17)18-6-3/h11-12H,4-10H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.6534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.358 g/mol  logS: -2.1427  SlogP: 2.2243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120888  Sterimol/B1: 2.10872  Sterimol/B2: 3.47981  Sterimol/B3: 4.95087
  Sterimol/B4: 6.61207  Sterimol/L: 14.9792 
 
 Surface and Volume Properties
  Accessible surface: 519.625  Positive charged surface: 388.896  Negative charged surface: 130.729  Volume: 268.125
  Hydrophobic surface: 402.417  Hydrophilic surface: 117.208
 
 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.