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NCID-ZINC01598451

 MMsINC code: MMs02251991
Type: Neutral
Formula: C17H25NO5
SMILES:   O(C(=O)c1ccc(N(CCC(OCC)OCC)C=O)cc1)CC
InChI:   InChI=1/C17H25NO5/c1-4-21-16(22-5-2)11-12-18(13-19)15-9-7-14(8-10-15)17(20)23-6-3/h7-10,13,16H,4-6,11-12H2,1-3H3

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Potential Energy
Epot(MMFF94)=68.5508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.389 g/mol  logS: -3.1084  SlogP: 2.6153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0879877  Sterimol/B1: 2.16846  Sterimol/B2: 2.77279  Sterimol/B3: 5.41112
  Sterimol/B4: 9.33124  Sterimol/L: 18.4589 
 
 Surface and Volume Properties
  Accessible surface: 647.643  Positive charged surface: 456.633  Negative charged surface: 191.01  Volume: 326.5
  Hydrophobic surface: 472.979  Hydrophilic surface: 174.664
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: no related molecules available.