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PUBCHEM-ZINC06202051

 MMsINC code: MMs03609615
Type: Neutral
Formula: C26H32N2O3
SMILES:   O(Cc1ccccc1)C(=O)NC(C1(CC1C(C(=O)NCC1CC1)C)C)c1ccccc1
InChI:   InChI=1/C26H32N2O3/c1-18(24(29)27-16-19-13-14-19)22-15-26(22,2)23(21-11-7-4-8-12-21)28-25(30)31-17-20-9-5-3-6-10-20/h3-12,18-19,22-23H,13-17H2,1-2H3,(H,27,29)(H,28,30)/t18-,22-,23-,26+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.2258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.553 g/mol  logS: -4.96574  SlogP: 5.2045  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.258377  Sterimol/B1: 2.339  Sterimol/B2: 6.74131  Sterimol/B3: 8.27647
  Sterimol/B4: 8.36661  Sterimol/L: 14.9252 
 
 Surface and Volume Properties
  Accessible surface: 773.94  Positive charged surface: 488.717  Negative charged surface: 285.222  Volume: 436.125
  Hydrophobic surface: 635.397  Hydrophilic surface: 138.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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: no related molecules available.