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PUBCHEM-ZINC02516263

 MMsINC code: MMs02891495
Type: Neutral
Formula: C24H26N2O3
SMILES:   O(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)Nc1cc2c(cc1)cccc2
InChI:   InChI=1/C24H26N2O3/c1-17(2)14-22(26-24(28)29-16-18-8-4-3-5-9-18)23(27)25-21-13-12-19-10-6-7-11-20(19)15-21/h3-13,15,17,22H,14,16H2,1-2H3,(H,25,27)(H,26,28)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.6587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.483 g/mol  logS: -7.04156  SlogP: 5.3858  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0663054  Sterimol/B1: 2.15691  Sterimol/B2: 2.42076  Sterimol/B3: 5.53471
  Sterimol/B4: 9.52776  Sterimol/L: 19.5955 
 
 Surface and Volume Properties
  Accessible surface: 714.288  Positive charged surface: 426.9  Negative charged surface: 275.883  Volume: 390.625
  Hydrophobic surface: 596.301  Hydrophilic surface: 117.987
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.