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CHEMBRIDGE-ZINC03182975

 MMsINC code: MMs00752704
Type: Neutral
Formula: C24H17ClN2O4
SMILES:   Clc1ccccc1-c1noc(C)c1C(=O)Nc1cc2oc3c(c2cc1OC)cccc3
InChI:   InChI=1/C24H17ClN2O4/c1-13-22(23(27-31-13)15-8-3-5-9-17(15)25)24(28)26-18-12-20-16(11-21(18)29-2)14-7-4-6-10-19(14)30-20/h3-12H,1-2H3,(H,26,28)

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Potential Energy
Epot(MMFF94)=121.52 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.863 g/mol  logS: -8.78647  SlogP: 6.46372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124109  Sterimol/B1: 2.3192  Sterimol/B2: 3.78957  Sterimol/B3: 5.59787
  Sterimol/B4: 9.82771  Sterimol/L: 17.3492 
 
 Surface and Volume Properties
  Accessible surface: 683.871  Positive charged surface: 359.814  Negative charged surface: 312.59  Volume: 388.25
  Hydrophobic surface: 620.971  Hydrophilic surface: 62.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.