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PUBCHEM-ZINC05957503

 MMsINC code: MMs03460347
Type: Neutral
Formula: C18H23N
SMILES:   N(CCCC(c1ccccc1)c1ccccc1)(C)C
InChI:   InChI=1/C18H23N/c1-19(2)15-9-14-18(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,9,14-15H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.4904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.389 g/mol  logS: -3.67725  SlogP: 4.1603  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149095  Sterimol/B1: 3.83164  Sterimol/B2: 3.91752  Sterimol/B3: 4.75882
  Sterimol/B4: 5.80739  Sterimol/L: 14.6308 
 
 Surface and Volume Properties
  Accessible surface: 533.079  Positive charged surface: 381.028  Negative charged surface: 152.052  Volume: 286.75
  Hydrophobic surface: 529.626  Hydrophilic surface: 3.453
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs03460348
PUBCHEM-ZINC05957503