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CHEMSTAR-ZINC04150540

 MMsINC code: MMs01108725
Type: Neutral
Formula: C26H14BrCl2NO5
SMILES:   Brc1ccc(N2C(=O)C3C(C(OC34C(=O)c3c(cccc3)C4=O)c3cccc(Cl)c3Cl)
C2=O)cc1
InChI:   InChI=1/C26H14BrCl2NO5/c27-12-8-10-13(11-9-12)30-24(33)18-19(25(30)34)26(22(31)14-4-1-2-5-15(14)23(26)32)35-21(18)16-6-3-7-17(28)20(16)29/h1-11,18-19,21H/t18-,19+,21-/m0/s1

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Potential Energy
Epot(MMFF94)=189.893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 571.21 g/mol  logS: -8.70144  SlogP: 5.5465  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151536  Sterimol/B1: 4.17742  Sterimol/B2: 4.20052  Sterimol/B3: 4.50581
  Sterimol/B4: 8.69965  Sterimol/L: 16.8832 
 
 Surface and Volume Properties
  Accessible surface: 695.783  Positive charged surface: 252.483  Negative charged surface: 443.3  Volume: 432.625
  Hydrophobic surface: 595.859  Hydrophilic surface: 99.924
 
 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: 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.