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NCID-ZINC01594260

 MMsINC code: MMs02248644
Type: Neutral
Formula: C26H32N2O
SMILES:   Oc1c(cc(cc1CNCc1ccccc1)C(C)(C)C)CNCc1ccccc1
InChI:   InChI=1/C26H32N2O/c1-26(2,3)24-14-22(18-27-16-20-10-6-4-7-11-20)25(29)23(15-24)19-28-17-21-12-8-5-9-13-21/h4-15,27-29H,16-19H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.1155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.555 g/mol  logS: -6.05931  SlogP: 6.3349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0882144  Sterimol/B1: 2.35617  Sterimol/B2: 2.57491  Sterimol/B3: 5.18409
  Sterimol/B4: 10.9296  Sterimol/L: 18.9255 
 
 Surface and Volume Properties
  Accessible surface: 757.937  Positive charged surface: 498.582  Negative charged surface: 259.355  Volume: 423.375
  Hydrophobic surface: 629.552  Hydrophilic surface: 128.385
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02248645
NCID-ZINC01594260