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PUBCHEM-ZINC01004047

 MMsINC code: MMs02754720
Type: Neutral
Formula: C23H28N2O3
SMILES:   O(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(cc1C)C
InChI:   InChI=1/C23H28N2O3/c1-16-12-13-21(17(2)14-16)28-15-22(26)25-20-11-7-6-10-19(20)23(27)24-18-8-4-3-5-9-18/h6-7,10-14,18H,3-5,8-9,15H2,1-2H3,(H,24,27)(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.488 g/mol  logS: -5.68335  SlogP: 4.38344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0302018  Sterimol/B1: 2.26274  Sterimol/B2: 3.1772  Sterimol/B3: 3.86601
  Sterimol/B4: 10.2254  Sterimol/L: 19.1526 
 
 Surface and Volume Properties
  Accessible surface: 710.812  Positive charged surface: 477.562  Negative charged surface: 233.25  Volume: 382.75
  Hydrophobic surface: 648.054  Hydrophilic surface: 62.758
 
 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: no related molecules available.