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PUBCHEM-ZINC05855627

 MMsINC code: MMs03419456
Type: Neutral
Formula: C13H25NO3
SMILES:   OC(=O)CCCCCCCCCCNC(=O)C
InChI:   InChI=1/C13H25NO3/c1-12(15)14-11-9-7-5-3-2-4-6-8-10-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)

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Potential Energy
Epot(MMFF94)=-5.15024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.347 g/mol  logS: -2.82964  SlogP: 2.718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0148462  Sterimol/B1: 2.37579  Sterimol/B2: 2.42699  Sterimol/B3: 2.51206
  Sterimol/B4: 3.79244  Sterimol/L: 21.7159 
 
 Surface and Volume Properties
  Accessible surface: 572.718  Positive charged surface: 432.205  Negative charged surface: 140.513  Volume: 263.125
  Hydrophobic surface: 414.562  Hydrophilic surface: 158.156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03419457
PUBCHEM-ZINC05855627