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IFLAB-ZINC01556635

 MMsINC code: MMs01985155
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+

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Potential Energy
Epot(MMFF94)=69.0821 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: 0.0765961  Sterimol/B1: 3.06083  Sterimol/B2: 3.63876  Sterimol/B3: 3.79109
  Sterimol/B4: 3.82807  Sterimol/L: 14.7064 
 
 Surface and Volume Properties
  Accessible surface: 446.401  Positive charged surface: 367.568  Negative charged surface: 78.8328  Volume: 214.875
  Hydrophobic surface: 311.67  Hydrophilic surface: 134.731
 
 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


MMs01985156
IFLAB-ZINC01556635