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NCID-ZINC05120768

 MMsINC code: MMs02442987
Type: Neutral
Formula: C10H18N2O5
SMILES:   O1C2OC(OC2C(NC(=O)NC)C1CO)(C)C
InChI:   InChI=1/C10H18N2O5/c1-10(2)16-7-6(12-9(14)11-3)5(4-13)15-8(7)17-10/h5-8,13H,4H2,1-3H3,(H2,11,12,14)/t5-,6+,7+,8+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.9686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.263 g/mol  logS: -0.7185  SlogP: -0.8473  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.204059  Sterimol/B1: 2.184  Sterimol/B2: 4.03722  Sterimol/B3: 4.87313
  Sterimol/B4: 5.41385  Sterimol/L: 12.7925 
 
 Surface and Volume Properties
  Accessible surface: 450.171  Positive charged surface: 348.99  Negative charged surface: 101.181  Volume: 222.875
  Hydrophobic surface: 263.463  Hydrophilic surface: 186.708
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.