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CHEMDIV-ZINC02365807

 MMsINC code: MMs00874539
Type: Neutral
Formula: C16H27NO5
SMILES:   O1C(=O)C(CC1CN1CCOCC1)(CCCC)C(OCC)=O
InChI:   InChI=1/C16H27NO5/c1-3-5-6-16(14(18)21-4-2)11-13(22-15(16)19)12-17-7-9-20-10-8-17/h13H,3-12H2,1-2H3/t13-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=64.2689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.394 g/mol  logS: -2.77798  SlogP: 1.3738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0719712  Sterimol/B1: 2.43153  Sterimol/B2: 3.00591  Sterimol/B3: 4.24079
  Sterimol/B4: 7.74066  Sterimol/L: 15.5411 
 
 Surface and Volume Properties
  Accessible surface: 581.057  Positive charged surface: 453.926  Negative charged surface: 127.131  Volume: 308.875
  Hydrophobic surface: 451.597  Hydrophilic surface: 129.46
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00874540
CHEMDIV-ZINC02365807