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CHEMBRIDGE-ZINC02734760

 MMsINC code: MMs00714222
Type: Neutral
Formula: C20H26N2
SMILES:   N1(CCN(CC1)Cc1ccc(cc1)C)Cc1cc(ccc1)C
InChI:   InChI=1/C20H26N2/c1-17-6-8-19(9-7-17)15-21-10-12-22(13-11-21)16-20-5-3-4-18(2)14-20/h3-9,14H,10-13,15-16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.3177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.442 g/mol  logS: -4.0188  SlogP: 4.15404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0794895  Sterimol/B1: 2.54785  Sterimol/B2: 3.48564  Sterimol/B3: 3.94209
  Sterimol/B4: 7.3966  Sterimol/L: 17.5125 
 
 Surface and Volume Properties
  Accessible surface: 592.867  Positive charged surface: 416.744  Negative charged surface: 176.123  Volume: 325.625
  Hydrophobic surface: 578.879  Hydrophilic surface: 13.988
 
 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


MMs00714223
CHEMBRIDGE-ZINC02734760