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PUBCHEM-ZINC03640151

 MMsINC code: MMs03030908
Type: Neutral
Formula: C17H27NO7
SMILES:   O=C1NC(C(OCC)=O)(C(OCC)=O)C(CC(C)C)C1C(OCC)=O
InChI:   InChI=1/C17H27NO7/c1-6-23-14(20)12-11(9-10(4)5)17(18-13(12)19,15(21)24-7-2)16(22)25-8-3/h10-12H,6-9H2,1-5H3,(H,18,19)/t11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=196.909 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.403 g/mol  logS: -3.82377  SlogP: 0.8228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117865  Sterimol/B1: 2.68578  Sterimol/B2: 3.96114  Sterimol/B3: 5.67945
  Sterimol/B4: 7.49923  Sterimol/L: 15.4777 
 
 Surface and Volume Properties
  Accessible surface: 595.96  Positive charged surface: 409.47  Negative charged surface: 186.489  Volume: 332.375
  Hydrophobic surface: 384.615  Hydrophilic surface: 211.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.