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BACHEM-ZINC02561166

 MMsINC code: MMs00484238
Type: Neutral
Formula: C6H10N2O4
SMILES:   OC(=O)CCC(=O)NCC(=O)N
InChI:   InChI=1/C6H10N2O4/c7-4(9)3-8-5(10)1-2-6(11)12/h1-3H2,(H2,7,9)(H,8,10)(H,11,12)

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Potential Energy
Epot(MMFF94)=2.65061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.156 g/mol  logS: 0.19865  SlogP: -1.5473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0202986  Sterimol/B1: 2.37491  Sterimol/B2: 2.37534  Sterimol/B3: 2.99862
  Sterimol/B4: 3.74227  Sterimol/L: 13.9628 
 
 Surface and Volume Properties
  Accessible surface: 364.845  Positive charged surface: 243.344  Negative charged surface: 121.501  Volume: 151.125
  Hydrophobic surface: 106.095  Hydrophilic surface: 258.75
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00484239
BACHEM-ZINC02561166