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CHEMBRIDGE-ZINC02822399

 MMsINC code: MMs00719265
Type: Neutral
Formula: C20H27NO
SMILES:   O(CCCCN(Cc1ccccc1)C)c1cc(ccc1)CC
InChI:   InChI=1/C20H27NO/c1-3-18-12-9-13-20(16-18)22-15-8-7-14-21(2)17-19-10-5-4-6-11-19/h4-6,9-13,16H,3,7-8,14-15,17H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.2811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.442 g/mol  logS: -4.49373  SlogP: 4.80637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0357547  Sterimol/B1: 2.60526  Sterimol/B2: 2.88782  Sterimol/B3: 4.45138
  Sterimol/B4: 5.6994  Sterimol/L: 21.1029 
 
 Surface and Volume Properties
  Accessible surface: 631.076  Positive charged surface: 443.515  Negative charged surface: 187.561  Volume: 333.125
  Hydrophobic surface: 594.27  Hydrophilic surface: 36.806
 
 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


MMs00719266
CHEMBRIDGE-ZINC02822399