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ASINEX-ZINC00779669

 MMsINC code: MMs00159490
Type: Neutral
Formula: C24H28N2O2
SMILES:   O1CCN(CC1)Cc1c2c(cccc2)c(c2c1cccc2)CN1CCOCC1
InChI:   InChI=1/C24H28N2O2/c1-2-6-20-19(5-1)23(17-25-9-13-27-14-10-25)21-7-3-4-8-22(21)24(20)18-26-11-15-28-16-12-26/h1-8H,9-18H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=161.861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.5 g/mol  logS: -5.4665  SlogP: 4.1902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.087253  Sterimol/B1: 2.4285  Sterimol/B2: 3.47686  Sterimol/B3: 4.08933
  Sterimol/B4: 9.62278  Sterimol/L: 17.081 
 
 Surface and Volume Properties
  Accessible surface: 617.176  Positive charged surface: 460.548  Negative charged surface: 143.111  Volume: 377
  Hydrophobic surface: 578.006  Hydrophilic surface: 39.17
 
 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


MMs00159491
ASINEX-ZINC00779669