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PUBCHEM-ZINC04214949

 MMsINC code: MMs03102070
Type: Neutral
Formula: C24H26N2O
SMILES:   Oc1ccc(cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H26N2O/c27-23-13-11-20(12-14-23)19-25-15-17-26(18-16-25)24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24,27H,15-19H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.29 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.485 g/mol  logS: -4.47691  SlogP: 4.6613  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101789  Sterimol/B1: 2.16181  Sterimol/B2: 3.60752  Sterimol/B3: 4.16375
  Sterimol/B4: 9.13389  Sterimol/L: 17.1288 
 
 Surface and Volume Properties
  Accessible surface: 643.532  Positive charged surface: 422.374  Negative charged surface: 221.157  Volume: 372.125
  Hydrophobic surface: 584.747  Hydrophilic surface: 58.785
 
 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


MMs03102071
PUBCHEM-ZINC04214949