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CHEMBLOCK-ZINC04580366

 MMsINC code: MMs00558973
Type: Neutral
Formula: C18H35NO4
SMILES:   O1CCN(CC1)CC(O)CCCCCCCCC(OC(C)C)=O
InChI:   InChI=1/C18H35NO4/c1-16(2)23-18(21)10-8-6-4-3-5-7-9-17(20)15-19-11-13-22-14-12-19/h16-17,20H,3-15H2,1-2H3/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=54.0236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.481 g/mol  logS: -3.18807  SlogP: 2.7519  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0166812  Sterimol/B1: 2.31212  Sterimol/B2: 2.94933  Sterimol/B3: 3.49954
  Sterimol/B4: 5.4458  Sterimol/L: 24.3062 
 
 Surface and Volume Properties
  Accessible surface: 697.326  Positive charged surface: 574.374  Negative charged surface: 122.952  Volume: 355.75
  Hydrophobic surface: 572.915  Hydrophilic surface: 124.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00558974
CHEMBLOCK-ZINC04580366