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PUBCHEM-ZINC02865930

 MMsINC code: MMs02946352
Type: Neutral
Formula: C30H20N2O5
SMILES:   O1c2c(C=C(c3ccc(cc3)C(=O)Nc3ccc(cc3)-c3oc4c(n3)cc(OC)cc4)C1=
O)cccc2
InChI:   InChI=1/C30H20N2O5/c1-35-23-14-15-27-25(17-23)32-29(36-27)20-10-12-22(13-11-20)31-28(33)19-8-6-18(7-9-19)24-16-21-4-2-3-5-26(21)37-30(24)34/h2-17H,1H3,(H,31,33)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=156.576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.499 g/mol  logS: -9.88453  SlogP: 6.2153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00568983  Sterimol/B1: 2.91711  Sterimol/B2: 3.51485  Sterimol/B3: 3.69862
  Sterimol/B4: 4.35418  Sterimol/L: 28.8114 
 
 Surface and Volume Properties
  Accessible surface: 802.586  Positive charged surface: 457.741  Negative charged surface: 344.844  Volume: 451.625
  Hydrophobic surface: 660.76  Hydrophilic surface: 141.826
 
 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.