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PUBCHEM-ZINC05732555

 MMsINC code: MMs03363905
Type: Neutral
Formula: C6H14N2O2
SMILES:   OC(=O)C(N(N)C(C)C)C
InChI:   InChI=1/C6H14N2O2/c1-4(2)8(7)5(3)6(9)10/h4-5H,7H2,1-3H3,(H,9,10)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=45.5531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.19 g/mol  logS: -0.31488  SlogP: 0.0436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.274964  Sterimol/B1: 2.54865  Sterimol/B2: 3.9757  Sterimol/B3: 4.01022
  Sterimol/B4: 4.36938  Sterimol/L: 9.34491 
 
 Surface and Volume Properties
  Accessible surface: 334.028  Positive charged surface: 218.397  Negative charged surface: 115.631  Volume: 148.375
  Hydrophobic surface: 151.893  Hydrophilic surface: 182.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs03363906
PUBCHEM-ZINC05732555