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PUBCHEM-ZINC04507550

 MMsINC code: MMs03126695
Type: Neutral
Formula: C6H14N2O2
SMILES:   O=C(NO)C(N)CCCC
InChI:   InChI=1/C6H14N2O2/c1-2-3-4-5(7)6(9)8-10/h5,10H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=43.2923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.19 g/mol  logS: -0.92327  SlogP: 0.0093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821248  Sterimol/B1: 2.72999  Sterimol/B2: 3.04854  Sterimol/B3: 3.17298
  Sterimol/B4: 4.4308  Sterimol/L: 12.1487 
 
 Surface and Volume Properties
  Accessible surface: 359  Positive charged surface: 257.198  Negative charged surface: 101.802  Volume: 149.75
  Hydrophobic surface: 163.062  Hydrophilic surface: 195.938
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03126696
PUBCHEM-ZINC04507550