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NCID-ZINC01736090

 MMsINC code: MMs02357767
Type: Neutral
Formula: C16H25NO7
SMILES:   O=C1NC(C(OCC)=O)(C(OCC)=O)C(CCC)C1C(OCC)=O
InChI:   InChI=1/C16H25NO7/c1-5-9-10-11(13(19)22-6-2)12(18)17-16(10,14(20)23-7-3)15(21)24-8-4/h10-11H,5-9H2,1-4H3,(H,17,18)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=55.733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.376 g/mol  logS: -3.30855  SlogP: 0.5768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141685  Sterimol/B1: 2.51888  Sterimol/B2: 2.74568  Sterimol/B3: 5.44615
  Sterimol/B4: 10.5483  Sterimol/L: 15.504 
 
 Surface and Volume Properties
  Accessible surface: 624.071  Positive charged surface: 437.717  Negative charged surface: 186.354  Volume: 325.5
  Hydrophobic surface: 407.383  Hydrophilic surface: 216.688
 
 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.