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CHEMBRIDGE-ZINC04988287

 MMsINC code: MMs00820663
Type: Neutral
Formula: C23H24N2O
SMILES:   OCCN1CCN(CC1)Cc1c2c3c4c(cc2)cccc4ccc3cc1
InChI:   InChI=1/C23H24N2O/c26-15-14-24-10-12-25(13-11-24)16-20-7-6-19-5-4-17-2-1-3-18-8-9-21(20)23(19)22(17)18/h1-9,26H,10-16H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=162.27 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.458 g/mol  logS: -6.18566  SlogP: 3.9603  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114103  Sterimol/B1: 2.95398  Sterimol/B2: 3.20314  Sterimol/B3: 5.438
  Sterimol/B4: 7.08091  Sterimol/L: 16.6097 
 
 Surface and Volume Properties
  Accessible surface: 603.237  Positive charged surface: 403.973  Negative charged surface: 167.433  Volume: 350.5
  Hydrophobic surface: 544.004  Hydrophilic surface: 59.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00820664
CHEMBRIDGE-ZINC04988287