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PUBCHEM-ZINC00277499

 MMsINC code: MMs02649159
Type: Neutral
Formula: C14H24N2
SMILES:   N(Cc1cc(ccc1)C)(CCN(C)C)CC
InChI:   InChI=1/C14H24N2/c1-5-16(10-9-15(3)4)12-14-8-6-7-13(2)11-14/h6-8,11H,5,9-10,12H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.8106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.36 g/mol  logS: -1.95535  SlogP: 2.64492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167938  Sterimol/B1: 2.19072  Sterimol/B2: 3.51371  Sterimol/B3: 3.78585
  Sterimol/B4: 8.30415  Sterimol/L: 12.1264 
 
 Surface and Volume Properties
  Accessible surface: 501.278  Positive charged surface: 388.739  Negative charged surface: 112.538  Volume: 257.5
  Hydrophobic surface: 469.588  Hydrophilic surface: 31.69
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02649160
PUBCHEM-ZINC00277499