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ACROSORGANICS-ZINC01694892

 MMsINC code: MMs00011262
Type: Neutral
Formula: C13H29NO4
SMILES:   O(C(OCC)CN(CC(OCC)OCC)C)CC
InChI:   InChI=1/C13H29NO4/c1-6-15-12(16-7-2)10-14(5)11-13(17-8-3)18-9-4/h12-13H,6-11H2,1-5H3

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Potential Energy
Epot(MMFF94)=90.4901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.378 g/mol  logS: -1.12929  SlogP: 1.7164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181777  Sterimol/B1: 2.33937  Sterimol/B2: 3.27509  Sterimol/B3: 4.77977
  Sterimol/B4: 7.64367  Sterimol/L: 13.2552 
 
 Surface and Volume Properties
  Accessible surface: 558.262  Positive charged surface: 467.14  Negative charged surface: 91.1216  Volume: 288.375
  Hydrophobic surface: 465.372  Hydrophilic surface: 92.89
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs00011263
ACROSORGANICS-ZINC01694892