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CHEMDIV-ZINC02028847

 MMsINC code: MMs00869947
Type: Neutral
Formula: C31H19F2NO4
SMILES:   Fc1ccc(cc1)C(Oc1ccc(cc1)-c1nc(ccc1)-c1ccc(OC(=O)c2ccc(F)cc2)
cc1)=O
InChI:   InChI=1/C31H19F2NO4/c32-24-12-4-22(5-13-24)30(35)37-26-16-8-20(9-17-26)28-2-1-3-29(34-28)21-10-18-27(19-11-21)38-31(36)23-6-14-25(33)15-7-23/h1-19H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=165.311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 507.492 g/mol  logS: -9.73518  SlogP: 7.1322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0241072  Sterimol/B1: 2.56425  Sterimol/B2: 3.79628  Sterimol/B3: 3.83446
  Sterimol/B4: 10.2771  Sterimol/L: 25.2076 
 
 Surface and Volume Properties
  Accessible surface: 824.425  Positive charged surface: 386.462  Negative charged surface: 425.196  Volume: 460.25
  Hydrophobic surface: 743.147  Hydrophilic surface: 81.278
 
 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: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.