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NCID-ZINC04692141

 MMsINC code: MMs02393760
Type: Neutral
Formula: C18H33NO6
SMILES:   OC(C(O)C(O)CO)C(O)C(=O)N(C1CCCCC1)C1CCCCC1
InChI:   InChI=1/C18H33NO6/c20-11-14(21)15(22)16(23)17(24)18(25)19(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-17,20-24H,1-11H2/t14-,15-,16+,17+/m1/s1

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Potential Energy
Epot(MMFF94)=232.345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.463 g/mol  logS: -1.5867  SlogP: -0.0837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117953  Sterimol/B1: 2.99198  Sterimol/B2: 3.52814  Sterimol/B3: 3.73095
  Sterimol/B4: 7.0909  Sterimol/L: 16.7551 
 
 Surface and Volume Properties
  Accessible surface: 578.803  Positive charged surface: 429.575  Negative charged surface: 149.228  Volume: 343.625
  Hydrophobic surface: 411.023  Hydrophilic surface: 167.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02393761
NCID-ZINC04692141