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PUBCHEM-ZINC06884235

 MMsINC code: MMs03888521
Type: Neutral
Formula: C11H24N2O
SMILES:   OCC(NC1CCN(CC1)C)C(C)C
InChI:   InChI=1/C11H24N2O/c1-9(2)11(8-14)12-10-4-6-13(3)7-5-10/h9-12,14H,4-8H2,1-3H3/t11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.1724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.326 g/mol  logS: -0.33596  SlogP: 0.6871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100678  Sterimol/B1: 2.21891  Sterimol/B2: 3.21744  Sterimol/B3: 4.7488
  Sterimol/B4: 4.91887  Sterimol/L: 13.3541 
 
 Surface and Volume Properties
  Accessible surface: 438.959  Positive charged surface: 378.385  Negative charged surface: 60.5738  Volume: 225.375
  Hydrophobic surface: 352.682  Hydrophilic surface: 86.277
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03888522
PUBCHEM-ZINC06884235