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ACROSORGANICS-ZINC03870314

 MMsINC code: MMs00016152
Type: Neutral
Formula: C7H10N2O4
SMILES:   o1nc(O)c(CC(N)C(O)=O)c1C
InChI:   InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=47.6158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.167 g/mol  logS: -0.01616  SlogP: -0.35701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120079  Sterimol/B1: 1.97708  Sterimol/B2: 2.79921  Sterimol/B3: 3.17768
  Sterimol/B4: 6.61004  Sterimol/L: 10.1392 
 
 Surface and Volume Properties
  Accessible surface: 351.458  Positive charged surface: 192.133  Negative charged surface: 159.325  Volume: 160
  Hydrophobic surface: 140.107  Hydrophilic surface: 211.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.