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PUBCHEM-ZINC01747180

 MMsINC code: MMs02819829
Type: Neutral
Formula: C26H23NO4
SMILES:   O(C(=O)CCCCCN1C(=O)c2c(cccc2)C1=O)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C26H23NO4/c28-24(31-21-16-14-20(15-17-21)19-9-3-1-4-10-19)13-5-2-8-18-27-25(29)22-11-6-7-12-23(22)26(27)30/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.2546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.473 g/mol  logS: -6.98884  SlogP: 5.1156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0359746  Sterimol/B1: 2.70847  Sterimol/B2: 3.87364  Sterimol/B3: 4.41145
  Sterimol/B4: 6.6257  Sterimol/L: 23.6903 
 
 Surface and Volume Properties
  Accessible surface: 743.255  Positive charged surface: 410.166  Negative charged surface: 320.79  Volume: 404
  Hydrophobic surface: 633.923  Hydrophilic surface: 109.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.