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IBS-ZINC04811653

 MMsINC code: MMs01895288
Type: Neutral
Formula: C11H19NO6
SMILES:   OC(=O)CCCCCCN(CC(O)=O)CC(O)=O
InChI:   InChI=1/C11H19NO6/c13-9(14)5-3-1-2-4-6-12(7-10(15)16)8-11(17)18/h1-8H2,(H,13,14)(H,15,16)(H,17,18)

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Potential Energy
Epot(MMFF94)=40.8127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.274 g/mol  logS: -0.4784  SlogP: 0.4927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0428237  Sterimol/B1: 2.87956  Sterimol/B2: 3.33806  Sterimol/B3: 4.83382
  Sterimol/B4: 5.36351  Sterimol/L: 15.9076 
 
 Surface and Volume Properties
  Accessible surface: 515.683  Positive charged surface: 358.538  Negative charged surface: 157.144  Volume: 242.75
  Hydrophobic surface: 232.943  Hydrophilic surface: 282.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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


MMs01895289
IBS-ZINC04811653