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PUBCHEM-ZINC05503372

 MMsINC code: MMs03290119
Type: Neutral
Formula: C12H23NO3
SMILES:   O(C(=O)C(=O)N(CCCC)CCCC)CC
InChI:   InChI=1/C12H23NO3/c1-4-7-9-13(10-8-5-2)11(14)12(15)16-6-3/h4-10H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.32 g/mol  logS: -2.4809  SlogP: 1.9783  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.069046  Sterimol/B1: 2.36667  Sterimol/B2: 3.77616  Sterimol/B3: 4.17408
  Sterimol/B4: 7.84245  Sterimol/L: 15.0404 
 
 Surface and Volume Properties
  Accessible surface: 517.512  Positive charged surface: 391.192  Negative charged surface: 126.32  Volume: 248
  Hydrophobic surface: 391.832  Hydrophilic surface: 125.68
 
 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.