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PUBCHEM-ZINC05810271

 MMsINC code: MMs03394390
Type: Neutral
Formula: C23H26N2O2
SMILES:   O(Cc1ccccc1)c1ccc(cc1OC)CN(CCc1ncccc1)C
InChI:   InChI=1/C23H26N2O2/c1-25(15-13-21-10-6-7-14-24-21)17-20-11-12-22(23(16-20)26-2)27-18-19-8-4-3-5-9-19/h3-12,14,16H,13,15,17-18H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.473 g/mol  logS: -3.84914  SlogP: 4.87647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0402772  Sterimol/B1: 2.07612  Sterimol/B2: 3.73154  Sterimol/B3: 4.16728
  Sterimol/B4: 7.56296  Sterimol/L: 22.4515 
 
 Surface and Volume Properties
  Accessible surface: 703.642  Positive charged surface: 498.591  Negative charged surface: 205.051  Volume: 376.5
  Hydrophobic surface: 673.692  Hydrophilic surface: 29.95
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs03394391
PUBCHEM-ZINC05810271