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NCID-ZINC05218072

 MMsINC code: MMs02450303
Type: Neutral
Formula: C15H27NO7
SMILES:   O1C(CC(O)(NC1=O)C(OC)OC)C(COC1OCCCC1)C
InChI:   InChI=1/C15H27NO7/c1-10(9-22-12-6-4-5-7-21-12)11-8-15(18,13(19-2)20-3)16-14(17)23-11/h10-13,18H,4-9H2,1-3H3,(H,16,17)/t10-,11-,12+,15-/m0/s1

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Potential Energy
Epot(MMFF94)=40.56 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.381 g/mol  logS: -1.53367  SlogP: 0.9717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0459061  Sterimol/B1: 2.47951  Sterimol/B2: 3.69439  Sterimol/B3: 4.37652
  Sterimol/B4: 5.80412  Sterimol/L: 18.2521 
 
 Surface and Volume Properties
  Accessible surface: 596.933  Positive charged surface: 482.477  Negative charged surface: 114.457  Volume: 314.375
  Hydrophobic surface: 449.852  Hydrophilic surface: 147.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.