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ACROSORGANICS-ZINC01555401

 MMsINC code: MMs00009158
Type: Neutral
Formula: C4H8N2O3
SMILES:   O(CC)C(=O)NC(=O)N
InChI:   InChI=1/C4H8N2O3/c1-2-9-4(8)6-3(5)7/h2H2,1H3,(H3,5,6,7,8)

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Potential Energy
Epot(MMFF94)=-26.4624 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.119 g/mol  logS: -0.50166  SlogP: -0.1888  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0238488  Sterimol/B1: 2.17698  Sterimol/B2: 2.37495  Sterimol/B3: 2.37495
  Sterimol/B4: 3.75477  Sterimol/L: 11.645 
 
 Surface and Volume Properties
  Accessible surface: 311.227  Positive charged surface: 221.009  Negative charged surface: 90.2182  Volume: 116.5
  Hydrophobic surface: 106.652  Hydrophilic surface: 204.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.