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PUBCHEM-ZINC05596559

 MMsINC code: MMs03318453
Type: Neutral
Formula: C26H35N3O4
SMILES:   O(Cc1ccccc1)c1ccc(nc1)CC(NC(OC(C)(C)C)=O)C(=O)NC1CCCCC1
InChI:   InChI=1/C26H35N3O4/c1-26(2,3)33-25(31)29-23(24(30)28-20-12-8-5-9-13-20)16-21-14-15-22(17-27-21)32-18-19-10-6-4-7-11-19/h4,6-7,10-11,14-15,17,20,23H,5,8-9,12-13,16,18H2,1-3H3,(H,28,30)(H,29,31)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 453.583 g/mol  logS: -5.0077  SlogP: 4.81167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.051532  Sterimol/B1: 2.51856  Sterimol/B2: 3.6056  Sterimol/B3: 4.91732
  Sterimol/B4: 10.025  Sterimol/L: 22.1443 
 
 Surface and Volume Properties
  Accessible surface: 800.447  Positive charged surface: 562.639  Negative charged surface: 237.809  Volume: 456.25
  Hydrophobic surface: 673.919  Hydrophilic surface: 126.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.