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MAYBRIDGE-ZINC03125974

 MMsINC code: MMs02160674
Type: Neutral
Formula: C7H12N2O4
SMILES:   O(C(=O)C(NC(=O)C)CC(=O)N)C
InChI:   InChI=1/C7H12N2O4/c1-4(10)9-5(3-6(8)11)7(12)13-2/h5H,3H2,1-2H3,(H2,8,11)(H,9,10)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=31.346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.183 g/mol  logS: -0.33912  SlogP: -1.4605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136335  Sterimol/B1: 2.21241  Sterimol/B2: 2.89118  Sterimol/B3: 3.42357
  Sterimol/B4: 7.4881  Sterimol/L: 10.7404 
 
 Surface and Volume Properties
  Accessible surface: 384.76  Positive charged surface: 281.937  Negative charged surface: 102.823  Volume: 169.875
  Hydrophobic surface: 217.378  Hydrophilic surface: 167.382
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.