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INDOFINE-ZINC02583396

 MMsINC code: MMs02091723
Type: Neutral
Formula: C26H16Cl2O4
SMILES:   Clc1ccc(cc1)C=1C(Oc2c(cc3c(OC(=O)C(c4ccc(Cl)cc4)=C3C)c2)C=1C
)=O
InChI:   InChI=1/C26H16Cl2O4/c1-13-19-11-20-14(2)24(16-5-9-18(28)10-6-16)26(30)32-22(20)12-21(19)31-25(29)23(13)15-3-7-17(27)8-4-15/h3-12H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=152.386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 463.316 g/mol  logS: -9.84148  SlogP: 6.6928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0338781  Sterimol/B1: 2.37461  Sterimol/B2: 2.8896  Sterimol/B3: 3.69394
  Sterimol/B4: 6.85929  Sterimol/L: 22.1717 
 
 Surface and Volume Properties
  Accessible surface: 686.546  Positive charged surface: 284.771  Negative charged surface: 401.775  Volume: 402.75
  Hydrophobic surface: 577.669  Hydrophilic surface: 108.877
 
 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: 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.