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PUBCHEM-ZINC05454574

 MMsINC code: MMs03273975
Type: Neutral
Formula: C6H12N2O2
SMILES:   OC1NC(=O)NCC1(C)C
InChI:   InChI=1/C6H12N2O2/c1-6(2)3-7-5(10)8-4(6)9/h4,9H,3H2,1-2H3,(H2,7,8,10)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=-27.1286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.174 g/mol  logS: -0.03667  SlogP: -0.3562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.466371  Sterimol/B1: 2.27591  Sterimol/B2: 2.46611  Sterimol/B3: 4.84741
  Sterimol/B4: 5.05034  Sterimol/L: 9.15486 
 
 Surface and Volume Properties
  Accessible surface: 313.501  Positive charged surface: 226.37  Negative charged surface: 87.1312  Volume: 138.125
  Hydrophobic surface: 135.524  Hydrophilic surface: 177.977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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.