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PUBCHEM-ZINC01459310

 MMsINC code: MMs02808336
Type: Neutral
Formula: C25H26N2O
SMILES:   O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)Cc1ccccc1
InChI:   InChI=1/C25H26N2O/c28-24(20-21-10-4-1-5-11-21)26-16-18-27(19-17-26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,25H,16-20H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.496 g/mol  logS: -5.06902  SlogP: 4.25837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0913536  Sterimol/B1: 3.56183  Sterimol/B2: 4.27887  Sterimol/B3: 5.26138
  Sterimol/B4: 6.41885  Sterimol/L: 17.3812 
 
 Surface and Volume Properties
  Accessible surface: 660.875  Positive charged surface: 425.322  Negative charged surface: 235.553  Volume: 386.375
  Hydrophobic surface: 634.619  Hydrophilic surface: 26.256
 
 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


MMs02808337
PUBCHEM-ZINC01459310