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NCID-ZINC04963879

 MMsINC code: MMs02420529
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+/m0/s1

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Potential Energy
Epot(MMFF94)=40.1921 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: 0.142701  Sterimol/B1: 2.93923  Sterimol/B2: 3.30594  Sterimol/B3: 4.16738
  Sterimol/B4: 8.86236  Sterimol/L: 12.884 
 
 Surface and Volume Properties
  Accessible surface: 541.748  Positive charged surface: 369.442  Negative charged surface: 172.306  Volume: 273
  Hydrophobic surface: 407.422  Hydrophilic surface: 134.326
 
 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.