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CHEMBRIDGE-ZINC01849049

 MMsINC code: MMs00699138
Type: Neutral
Formula: C35H22Cl2O4
SMILES:   Clc1ccc(cc1)C(Oc1ccc2c(cccc2)c1Cc1c2c(ccc1OC(=O)c1ccc(Cl)cc1
)cccc2)=O
InChI:   InChI=1/C35H22Cl2O4/c36-26-15-9-24(10-16-26)34(38)40-32-19-13-22-5-1-3-7-28(22)30(32)21-31-29-8-4-2-6-23(29)14-20-33(31)41-35(39)25-11-17-27(37)18-12-25/h1-20H,21H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=287.018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 577.463 g/mol  logS: -12.6403  SlogP: 9.32897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16958  Sterimol/B1: 2.72147  Sterimol/B2: 3.00555  Sterimol/B3: 6.56259
  Sterimol/B4: 8.74344  Sterimol/L: 20.8349 
 
 Surface and Volume Properties
  Accessible surface: 777.486  Positive charged surface: 315.14  Negative charged surface: 445.689  Volume: 513.375
  Hydrophobic surface: 733.382  Hydrophilic surface: 44.104
 
 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.