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CHEMBRIDGE-ZINC04980701

 MMsINC code: MMs00818063
Type: Neutral
Formula: C26H30N2O
SMILES:   O(Cc1ccccc1)c1cc(ccc1)CN1CCN(CC1)c1cccc(C)c1C
InChI:   InChI=1/C26H30N2O/c1-21-8-6-13-26(22(21)2)28-16-14-27(15-17-28)19-24-11-7-12-25(18-24)29-20-23-9-4-3-5-10-23/h3-13,18H,14-17,19-20H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=174.807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.539 g/mol  logS: -5.57959  SlogP: 5.73744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0514072  Sterimol/B1: 3.53333  Sterimol/B2: 4.62171  Sterimol/B3: 5.1228
  Sterimol/B4: 5.8336  Sterimol/L: 21.0999 
 
 Surface and Volume Properties
  Accessible surface: 723.623  Positive charged surface: 473.061  Negative charged surface: 250.562  Volume: 411.375
  Hydrophobic surface: 698.249  Hydrophilic surface: 25.374
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00818064
CHEMBRIDGE-ZINC04980701