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NCID-ZINC01755035

 MMsINC code: MMs02364193
Type: Neutral
Formula: C8H19NO
SMILES:   OCC(N(C(C)C)C)(C)C
InChI:   InChI=1/C8H19NO/c1-7(2)9(5)8(3,4)6-10/h7,10H,6H2,1-5H3

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Potential Energy
Epot(MMFF94)=69.0215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.246 g/mol  logS: -0.59473  SlogP: 1.0975  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.335266  Sterimol/B1: 2.3137  Sterimol/B2: 3.17294  Sterimol/B3: 4.19631
  Sterimol/B4: 4.43238  Sterimol/L: 10.3796 
 
 Surface and Volume Properties
  Accessible surface: 344.125  Positive charged surface: 266.393  Negative charged surface: 77.7323  Volume: 168.25
  Hydrophobic surface: 233.841  Hydrophilic surface: 110.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02364194
NCID-ZINC01755035