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NCID-ZINC01689130

 MMsINC code: MMs02321697
Type: Neutral
Formula: C7H10N2O2
SMILES:   O=C1NC(=O)NC(=C1)C(C)C
InChI:   InChI=1/C7H10N2O2/c1-4(2)5-3-6(10)9-7(11)8-5/h3-4H,1-2H3,(H2,8,9,10,11)

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Potential Energy
Epot(MMFF94)=-18.6738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.169 g/mol  logS: -1.12275  SlogP: 0.3657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204009  Sterimol/B1: 2.37391  Sterimol/B2: 3.88239  Sterimol/B3: 4.08408
  Sterimol/B4: 4.87531  Sterimol/L: 9.61008 
 
 Surface and Volume Properties
  Accessible surface: 333.398  Positive charged surface: 200.709  Negative charged surface: 132.69  Volume: 144.75
  Hydrophobic surface: 144.567  Hydrophilic surface: 188.831
 
 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.