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CHEMSTAR-ZINC04064825

 MMsINC code: MMs01092992
Type: Neutral
Formula: C26H15Cl2NO5
SMILES:   Clc1ccc(Cl)cc1N1C(=O)C2C(C(OC23C(=O)c2c(cccc2)C3=O)c2ccccc2)
C1=O
InChI:   InChI=1/C26H15Cl2NO5/c27-14-10-11-17(28)18(12-14)29-24(32)19-20(25(29)33)26(34-21(19)13-6-2-1-3-7-13)22(30)15-8-4-5-9-16(15)23(26)31/h1-12,19-21H/t19-,20-,21+/m0/s1

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Potential Energy
Epot(MMFF94)=108.209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.314 g/mol  logS: -7.61105  SlogP: 4.784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162251  Sterimol/B1: 4.23781  Sterimol/B2: 5.56373  Sterimol/B3: 6.56856
  Sterimol/B4: 7.57587  Sterimol/L: 14.5667 
 
 Surface and Volume Properties
  Accessible surface: 678.057  Positive charged surface: 277.099  Negative charged surface: 400.958  Volume: 409.625
  Hydrophobic surface: 580.784  Hydrophilic surface: 97.273
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.