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ACROSORGANICS-ZINC00901401

 MMsINC code: MMs00008276
Type: Neutral
Formula: C4H6N2O2
SMILES:   O=C1NC(=O)N(C1)C
InChI:   InChI=1/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)

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Potential Energy
Epot(MMFF94)=-11.6731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.104 g/mol  logS: -0.03449  SlogP: -0.832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0799982  Sterimol/B1: 2.38354  Sterimol/B2: 2.51294  Sterimol/B3: 3.1478
  Sterimol/B4: 4.06589  Sterimol/L: 8.56351 
 
 Surface and Volume Properties
  Accessible surface: 266.105  Positive charged surface: 192.046  Negative charged surface: 74.0591  Volume: 99.5
  Hydrophobic surface: 120.55  Hydrophilic surface: 145.555
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.