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ASINEX-ZINC04163684

 MMsINC code: MMs00313365
Type: Neutral
Formula: C26H28N2O3
SMILES:   O(C)c1cc(ccc1OC)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H28N2O3/c1-30-23-14-13-22(19-24(23)31-2)26(29)28-17-15-27(16-18-28)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25H,15-18H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=159.294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.521 g/mol  logS: -5.10831  SlogP: 4.3467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108085  Sterimol/B1: 3.4801  Sterimol/B2: 4.20196  Sterimol/B3: 4.85493
  Sterimol/B4: 7.29029  Sterimol/L: 17.675 
 
 Surface and Volume Properties
  Accessible surface: 711.462  Positive charged surface: 502.892  Negative charged surface: 208.569  Volume: 418.625
  Hydrophobic surface: 661.366  Hydrophilic surface: 50.096
 
 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


MMs00313366
ASINEX-ZINC04163684