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CHEMBRIDGE-ZINC00277296

 MMsINC code: MMs00600318
Type: Neutral
Formula: C23H26N2O
SMILES:   O(C)c1c2c(cccc2)c(cc1)CN1CCN(CC1)c1ccc(cc1)C
InChI:   InChI=1/C23H26N2O/c1-18-7-10-20(11-8-18)25-15-13-24(14-16-25)17-19-9-12-23(26-2)22-6-4-3-5-21(19)22/h3-12H,13-17H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=171.157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.474 g/mol  logS: -5.5291  SlogP: 4.74542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111915  Sterimol/B1: 2.74832  Sterimol/B2: 4.16764  Sterimol/B3: 6.08013
  Sterimol/B4: 6.16713  Sterimol/L: 18.1289 
 
 Surface and Volume Properties
  Accessible surface: 632.005  Positive charged surface: 440.412  Negative charged surface: 182.205  Volume: 364.5
  Hydrophobic surface: 608.227  Hydrophilic surface: 23.778
 
 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


MMs00600319
CHEMBRIDGE-ZINC00277296