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NCID-ZINC05201835

 MMsINC code: MMs02447711
Type: Neutral
Formula: C10H15NO7
SMILES:   O1COC2C(OCOC2COC(=O)C)C1C(=O)N
InChI:   InChI=1/C10H15NO7/c1-5(12)14-2-6-7-8(17-3-15-6)9(10(11)13)18-4-16-7/h6-9H,2-4H2,1H3,(H2,11,13)/t6-,7+,8+,9-/m1/s1

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Potential Energy
Epot(MMFF94)=56.4333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.23 g/mol  logS: -0.56387  SlogP: -1.4822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0877595  Sterimol/B1: 3.48355  Sterimol/B2: 3.55346  Sterimol/B3: 4.6691
  Sterimol/B4: 4.89742  Sterimol/L: 13.466 
 
 Surface and Volume Properties
  Accessible surface: 440.388  Positive charged surface: 316.213  Negative charged surface: 124.175  Volume: 217.25
  Hydrophobic surface: 226.549  Hydrophilic surface: 213.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.