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PUBCHEM-ZINC02963492

 MMsINC code: MMs02968189
Type: Neutral
Formula: C25H28NO5P
SMILES:   P(Oc1cc(ccc1)C)(Oc1cc(ccc1)C)(=O)Nc1ccc(cc1)C(OCCCC)=O
InChI:   InChI=1/C25H28NO5P/c1-4-5-16-29-25(27)21-12-14-22(15-13-21)26-32(28,30-23-10-6-8-19(2)17-23)31-24-11-7-9-20(3)18-24/h6-15,17-18H,4-5,16H2,1-3H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 453.475 g/mol  logS: -6.91046  SlogP: 5.86814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0955523  Sterimol/B1: 2.14768  Sterimol/B2: 6.06413  Sterimol/B3: 6.8162
  Sterimol/B4: 8.40231  Sterimol/L: 19.4348 
 
 Surface and Volume Properties
  Accessible surface: 781.5  Positive charged surface: 488.307  Negative charged surface: 293.194  Volume: 438.75
  Hydrophobic surface: 675.393  Hydrophilic surface: 106.107
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.