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ASINEX-ZINC04123393

 MMsINC code: MMs00305392
Type: Neutral
Formula: C23H26N2O2
SMILES:   O=C1c2c(cccc2NC2CC(NC(C2)(C)C)(C)C)C(=O)c2c1cccc2
InChI:   InChI=1/C23H26N2O2/c1-22(2)12-14(13-23(3,4)25-22)24-18-11-7-10-17-19(18)21(27)16-9-6-5-8-15(16)20(17)26/h5-11,14,24-25H,12-13H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.4094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.473 g/mol  logS: -5.30962  SlogP: 4.1831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0910857  Sterimol/B1: 2.32278  Sterimol/B2: 4.13251  Sterimol/B3: 6.1855
  Sterimol/B4: 6.53164  Sterimol/L: 16.3453 
 
 Surface and Volume Properties
  Accessible surface: 609.626  Positive charged surface: 374.611  Negative charged surface: 235.015  Volume: 364.875
  Hydrophobic surface: 465.393  Hydrophilic surface: 144.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00305393
ASINEX-ZINC04123393