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PUBCHEM-ZINC01457796

 MMsINC code: MMs02808089
Type: Neutral
Formula: C20H26N2
SMILES:   n1ccccc1CCN(C)C1CCC(CC1)c1ccccc1
InChI:   InChI=1/C20H26N2/c1-22(16-14-19-9-5-6-15-21-19)20-12-10-18(11-13-20)17-7-3-2-4-8-17/h2-9,15,18,20H,10-14,16H2,1H3/t18-,20-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.9525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.442 g/mol  logS: -3.18588  SlogP: 4.28227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0652426  Sterimol/B1: 2.20845  Sterimol/B2: 2.97463  Sterimol/B3: 4.12805
  Sterimol/B4: 6.51207  Sterimol/L: 18.1578 
 
 Surface and Volume Properties
  Accessible surface: 579.763  Positive charged surface: 413.041  Negative charged surface: 166.722  Volume: 323.25
  Hydrophobic surface: 572.301  Hydrophilic surface: 7.462
 
 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


MMs02808090
PUBCHEM-ZINC01457796