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ENAMINE-ZINC03257690

 MMsINC code: MMs01334609
Type: Neutral
Formula: C6H10N2O4
SMILES:   OC1CC(N(C1)C(=O)N)C(O)=O
InChI:   InChI=1/C6H10N2O4/c7-6(12)8-2-3(9)1-4(8)5(10)11/h3-4,9H,1-2H2,(H2,7,12)(H,10,11)/t3-,4+/m0/s1

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Potential Energy
Epot(MMFF94)=6.66575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.156 g/mol  logS: 0.25176  SlogP: -1.4151  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190157  Sterimol/B1: 2.79965  Sterimol/B2: 3.07298  Sterimol/B3: 3.13687
  Sterimol/B4: 5.63549  Sterimol/L: 9.31445 
 
 Surface and Volume Properties
  Accessible surface: 341.279  Positive charged surface: 232.275  Negative charged surface: 109.004  Volume: 146.375
  Hydrophobic surface: 108.579  Hydrophilic surface: 232.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs01334610
ENAMINE-ZINC03257690