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IFLAB-ZINC01556637

 MMsINC code: MMs01985159
Type: Neutral
Formula: C10H22N2O2
SMILES:   OC(CN1CCN(CC1)CC(O)C)C
InChI:   InChI=1/C10H22N2O2/c1-9(13)7-11-3-5-12(6-4-11)8-10(2)14/h9-10,13-14H,3-8H2,1-2H3/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=70.4169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.298 g/mol  logS: 0.2155  SlogP: -0.6344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0782918  Sterimol/B1: 2.24073  Sterimol/B2: 3.19324  Sterimol/B3: 3.72365
  Sterimol/B4: 4.91351  Sterimol/L: 14.0483 
 
 Surface and Volume Properties
  Accessible surface: 444.118  Positive charged surface: 362.516  Negative charged surface: 81.6015  Volume: 217.125
  Hydrophobic surface: 308.065  Hydrophilic surface: 136.053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs01985160
IFLAB-ZINC01556637