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NCID-ZINC05810329

 MMsINC code: MMs02499971
Type: Neutral
Formula: C13H20N2O5
SMILES:   O1C(CO)C(O)C(O)C(O)C1NN(C)c1ccccc1
InChI:   InChI=1/C13H20N2O5/c1-15(8-5-3-2-4-6-8)14-13-12(19)11(18)10(17)9(7-16)20-13/h2-6,9-14,16-19H,7H2,1H3/t9-,10+,11+,12+,13-/m0/s1

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Potential Energy
Epot(MMFF94)=144.863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.312 g/mol  logS: -0.13469  SlogP: -1.5727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158721  Sterimol/B1: 2.22014  Sterimol/B2: 3.57857  Sterimol/B3: 4.20588
  Sterimol/B4: 7.20182  Sterimol/L: 13.382 
 
 Surface and Volume Properties
  Accessible surface: 471.853  Positive charged surface: 343.197  Negative charged surface: 128.656  Volume: 258.75
  Hydrophobic surface: 316.371  Hydrophilic surface: 155.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.