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NCID-ZINC01722219

 MMsINC code: MMs02346740
Type: Neutral
Formula: C8H16N2O
SMILES:   O=C(N)C1N(CC1)C(C)(C)C
InChI:   InChI=1/C8H16N2O/c1-8(2,3)10-5-4-6(10)7(9)11/h6H,4-5H2,1-3H3,(H2,9,11)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=207.715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.229 g/mol  logS: -1.09923  SlogP: 0.3445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.32302  Sterimol/B1: 2.64939  Sterimol/B2: 3.84709  Sterimol/B3: 3.95309
  Sterimol/B4: 4.24809  Sterimol/L: 9.30133 
 
 Surface and Volume Properties
  Accessible surface: 334.776  Positive charged surface: 174.907  Negative charged surface: 65.0461  Volume: 158.5
  Hydrophobic surface: 203.58  Hydrophilic surface: 131.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02346741
NCID-ZINC01722219