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PUBCHEM-ZINC03640150

 MMsINC code: MMs03030907
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)=117.179 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: 0.136402  Sterimol/B1: 3.1024  Sterimol/B2: 4.74046  Sterimol/B3: 5.30312
  Sterimol/B4: 8.24773  Sterimol/L: 15.8002 
 
 Surface and Volume Properties
  Accessible surface: 623.91  Positive charged surface: 438.493  Negative charged surface: 185.417  Volume: 335.875
  Hydrophobic surface: 416.875  Hydrophilic surface: 207.035
 
 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.