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NCID-ZINC04963880

 MMsINC code: MMs02420530
Type: Neutral
Formula: C13H19NO7
SMILES:   O(C(=O)C)C1C(OC(=O)C)C(NC(=O)C)CC1C(OC)=O
InChI:   InChI=1/C13H19NO7/c1-6(15)14-10-5-9(13(18)19-4)11(20-7(2)16)12(10)21-8(3)17/h9-12H,5H2,1-4H3,(H,14,15)/t9-,10-,11+,12-/m1/s1

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Potential Energy
Epot(MMFF94)=38.9414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.295 g/mol  logS: -1.11679  SlogP: -0.4526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.352927  Sterimol/B1: 2.55162  Sterimol/B2: 3.69496  Sterimol/B3: 5.86619
  Sterimol/B4: 8.75797  Sterimol/L: 13.3867 
 
 Surface and Volume Properties
  Accessible surface: 544.59  Positive charged surface: 366.031  Negative charged surface: 178.559  Volume: 272.375
  Hydrophobic surface: 414.523  Hydrophilic surface: 130.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.