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PUBCHEM-ZINC01842662

 MMsINC code: MMs02822278
Type: Neutral
Formula: C18H23N
SMILES:   N(CCC(c1ccc(cc1)C)c1ccccc1)(C)C
InChI:   InChI=1/C18H23N/c1-15-9-11-17(12-10-15)18(13-14-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.6703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.389 g/mol  logS: -3.63595  SlogP: 4.07862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185909  Sterimol/B1: 3.09083  Sterimol/B2: 3.66618  Sterimol/B3: 4.4732
  Sterimol/B4: 7.33731  Sterimol/L: 14.2861 
 
 Surface and Volume Properties
  Accessible surface: 533.435  Positive charged surface: 378.622  Negative charged surface: 154.813  Volume: 288.125
  Hydrophobic surface: 529.97  Hydrophilic surface: 3.4649999999999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs02822279
PUBCHEM-ZINC01842662