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PUBCHEM-ZINC06174307

 MMsINC code: MMs03580422
Type: Neutral
Formula: C26H24N2O3
SMILES:   O(C)c1ccc(cc1)CC\N=C\C=1c2c(cccc2)C(=O)N(C=1O)c1ccccc1C
InChI:   InChI=1/C26H24N2O3/c1-18-7-3-6-10-24(18)28-25(29)22-9-5-4-8-21(22)23(26(28)30)17-27-16-15-19-11-13-20(31-2)14-12-19/h3-14,17,30H,15-16H2,1-2H3/b27-17+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=154.467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.489 g/mol  logS: -5.78427  SlogP: 5.20409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0436639  Sterimol/B1: 2.13065  Sterimol/B2: 3.62729  Sterimol/B3: 6.23991
  Sterimol/B4: 8.22307  Sterimol/L: 21.0413 
 
 Surface and Volume Properties
  Accessible surface: 713.85  Positive charged surface: 447.959  Negative charged surface: 265.891  Volume: 407.25
  Hydrophobic surface: 636.313  Hydrophilic surface: 77.537
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.