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PUBCHEM-ZINC01023955

 MMsINC code: MMs02759449
Type: Neutral
Formula: C26H27NO
SMILES:   O=C(C1CN(C(C)(C)C)C1c1ccccc1)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C26H27NO/c1-26(2,3)27-18-23(24(27)21-12-8-5-9-13-21)25(28)22-16-14-20(15-17-22)19-10-6-4-7-11-19/h4-17,23-24H,18H2,1-3H3/t23-,24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.508 g/mol  logS: -6.66891  SlogP: 6.1034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0693023  Sterimol/B1: 2.68675  Sterimol/B2: 3.10355  Sterimol/B3: 4.92244
  Sterimol/B4: 8.88005  Sterimol/L: 18.45 
 
 Surface and Volume Properties
  Accessible surface: 645.385  Positive charged surface: 345.705  Negative charged surface: 255.64  Volume: 389.75
  Hydrophobic surface: 588.041  Hydrophilic surface: 57.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02759450
PUBCHEM-ZINC01023955