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PUBCHEM-ZINC04577889

 MMsINC code: MMs03137177
Type: Neutral
Formula: C35H22Cl2O4
SMILES:   Clc1ccc(OC(=O)c2ccc3c(cccc3)c2Cc2c3c(ccc2C(Oc2ccc(Cl)cc2)=O)
cccc3)cc1
InChI:   InChI=1/C35H22Cl2O4/c36-24-11-15-26(16-12-24)40-34(38)30-19-9-22-5-1-3-7-28(22)32(30)21-33-29-8-4-2-6-23(29)10-20-31(33)35(39)41-27-17-13-25(37)14-18-27/h1-20H,21H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=340.44 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 577.463 g/mol  logS: -12.9537  SlogP: 9.32897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193955  Sterimol/B1: 2.86896  Sterimol/B2: 3.65979  Sterimol/B3: 6.50135
  Sterimol/B4: 6.71238  Sterimol/L: 19.7218 
 
 Surface and Volume Properties
  Accessible surface: 736.697  Positive charged surface: 340.762  Negative charged surface: 384.835  Volume: 507.375
  Hydrophobic surface: 710.175  Hydrophilic surface: 26.522
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.