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NCID-ZINC05808464

 MMsINC code: MMs02498503
Type: Neutral
Formula: C11H15NO7
SMILES:   O1C2OC(CC1=O)C(NC(OCC)=O)C2OC(=O)C
InChI:   InChI=1/C11H15NO7/c1-3-16-11(15)12-8-6-4-7(14)19-10(18-6)9(8)17-5(2)13/h6,8-10H,3-4H2,1-2H3,(H,12,15)/t6-,8-,9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=21.1292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.241 g/mol  logS: -1.19381  SlogP: -0.2954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0992796  Sterimol/B1: 3.13648  Sterimol/B2: 3.18828  Sterimol/B3: 4.01294
  Sterimol/B4: 7.16576  Sterimol/L: 13.1882 
 
 Surface and Volume Properties
  Accessible surface: 479.246  Positive charged surface: 302.989  Negative charged surface: 176.257  Volume: 235.25
  Hydrophobic surface: 278.894  Hydrophilic surface: 200.352
 
 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.