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NCID-ZINC01604114

 MMsINC code: MMs02256628
Type: Neutral
Formula: C10H24N2O2
SMILES:   OCCN(CCN(CCO)CC)CC
InChI:   InChI=1/C10H24N2O2/c1-3-11(7-9-13)5-6-12(4-2)8-10-14/h13-14H,3-10H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.0872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.314 g/mol  logS: 0.36434  SlogP: -0.3852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131681  Sterimol/B1: 2.35204  Sterimol/B2: 2.56491  Sterimol/B3: 4.51123
  Sterimol/B4: 6.63767  Sterimol/L: 12.124 
 
 Surface and Volume Properties
  Accessible surface: 460.274  Positive charged surface: 385.248  Negative charged surface: 75.0255  Volume: 227.375
  Hydrophobic surface: 320.529  Hydrophilic surface: 139.745
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02256629
NCID-ZINC01604114