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NCID-ZINC01760187

 MMsINC code: MMs02366817
Type: Neutral
Formula: C3H8N2O3
SMILES:   O(N)CC(N)C(O)=O
InChI:   InChI=1/C3H8N2O3/c4-2(1-8-5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=34.9825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.108 g/mol  logS: 0.4937  SlogP: -1.7114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103463  Sterimol/B1: 2.55222  Sterimol/B2: 2.87517  Sterimol/B3: 3.24102
  Sterimol/B4: 4.13102  Sterimol/L: 9.60058 
 
 Surface and Volume Properties
  Accessible surface: 290.202  Positive charged surface: 199.842  Negative charged surface: 90.3605  Volume: 105.375
  Hydrophobic surface: 62.9789  Hydrophilic surface: 227.2231
 
 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.