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NCID-ZINC01763756

 MMsINC code: MMs02368689
Type: Neutral
Formula: C7H14N2O4
SMILES:   O(CC)C(=O)NCNC(C(O)=O)C
InChI:   InChI=1/C7H14N2O4/c1-3-13-7(12)9-4-8-5(2)6(10)11/h5,8H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-12.8499 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.199 g/mol  logS: 0.03737  SlogP: -0.2473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0672341  Sterimol/B1: 2.74681  Sterimol/B2: 3.23479  Sterimol/B3: 3.41681
  Sterimol/B4: 4.60188  Sterimol/L: 14.334 
 
 Surface and Volume Properties
  Accessible surface: 411.18  Positive charged surface: 287.554  Negative charged surface: 123.626  Volume: 177.125
  Hydrophobic surface: 187.505  Hydrophilic surface: 223.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02368690
NCID-ZINC01763756