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NCID-ZINC01736082

 MMsINC code: MMs02357759
Type: Neutral
Formula: C14H21NO7
SMILES:   O=C1NC(C(OCC)=O)(C(OCC)=O)C(C)C1C(OCC)=O
InChI:   InChI=1/C14H21NO7/c1-5-20-11(17)9-8(4)14(15-10(9)16,12(18)21-6-2)13(19)22-7-3/h8-9H,5-7H2,1-4H3,(H,15,16)/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=52.761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.322 g/mol  logS: -2.27811  SlogP: -0.2034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117442  Sterimol/B1: 3.14723  Sterimol/B2: 3.29974  Sterimol/B3: 4.45082
  Sterimol/B4: 8.42495  Sterimol/L: 15.9805 
 
 Surface and Volume Properties
  Accessible surface: 571.612  Positive charged surface: 392.893  Negative charged surface: 178.719  Volume: 288
  Hydrophobic surface: 356.771  Hydrophilic surface: 214.841
 
 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.