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NCID-ZINC01713457

 MMsINC code: MMs02339945
Type: Neutral
Formula: C4H10N2O3
SMILES:   O(C(=O)C(N)CON)C
InChI:   InChI=1/C4H10N2O3/c1-8-4(7)3(5)2-9-6/h3H,2,5-6H2,1H3/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=43.9531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.135 g/mol  logS: 0.08137  SlogP: -1.623  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0739177  Sterimol/B1: 2.32973  Sterimol/B2: 2.78559  Sterimol/B3: 2.98924
  Sterimol/B4: 4.99245  Sterimol/L: 11.0563 
 
 Surface and Volume Properties
  Accessible surface: 328.493  Positive charged surface: 255.055  Negative charged surface: 73.4379  Volume: 122.875
  Hydrophobic surface: 158.588  Hydrophilic surface: 169.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.