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NCID-ZINC01655611

 MMsINC code: MMs02294189
Type: Neutral
Formula: C11H24N2
SMILES:   N1CCC(CC1)CCN(CC)CC
InChI:   InChI=1/C11H24N2/c1-3-13(4-2)10-7-11-5-8-12-9-6-11/h11-12H,3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.1295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.327 g/mol  logS: -0.74027  SlogP: 1.7179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0770919  Sterimol/B1: 2.29049  Sterimol/B2: 2.55278  Sterimol/B3: 3.51325
  Sterimol/B4: 6.42754  Sterimol/L: 12.5252 
 
 Surface and Volume Properties
  Accessible surface: 437.067  Positive charged surface: 369.679  Negative charged surface: 67.3877  Volume: 217
  Hydrophobic surface: 363.294  Hydrophilic surface: 73.773
 
 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


MMs02294190
NCID-ZINC01655611