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PUBCHEM-ZINC05855627

 MMsINC code: MMs03419457
Type: Ionized
Formula: C13H24NO3-
SMILES:   O=C(NCCCCCCCCCCC(=O)[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)/p-1

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Potential Energy
Epot(MMFF94)=-2.09597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.339 g/mol  logS: -3.09009  SlogP: 1.3833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0156996  Sterimol/B1: 2.34128  Sterimol/B2: 2.36751  Sterimol/B3: 2.50815
  Sterimol/B4: 3.93836  Sterimol/L: 21.4909 
 
 Surface and Volume Properties
  Accessible surface: 573.788  Positive charged surface: 414.33  Negative charged surface: 159.458  Volume: 261.5
  Hydrophobic surface: 413.535  Hydrophilic surface: 160.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs03419456
PUBCHEM-ZINC05855627