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NCID-ZINC01736091

 MMsINC code: MMs02357768
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+/m1/s1

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Potential Energy
Epot(MMFF94)=85.3349 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: 0.107258  Sterimol/B1: 3.05569  Sterimol/B2: 3.61968  Sterimol/B3: 4.63729
  Sterimol/B4: 8.36687  Sterimol/L: 15.3643 
 
 Surface and Volume Properties
  Accessible surface: 600.499  Positive charged surface: 413.676  Negative charged surface: 186.822  Volume: 318.125
  Hydrophobic surface: 389.679  Hydrophilic surface: 210.82
 
 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.