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NCID-ZINC01568752

 MMsINC code: MMs02229503
Type: Neutral
Formula: C11H8Cl4O5
SMILES:   Clc1c(C(OCCOC)=O)c(C(O)=O)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C11H8Cl4O5/c1-19-2-3-20-11(18)5-4(10(16)17)6(12)8(14)9(15)7(5)13/h2-3H2,1H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=50.8039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.992 g/mol  logS: -4.81581  SlogP: 3.8016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146363  Sterimol/B1: 2.31965  Sterimol/B2: 4.34698  Sterimol/B3: 5.5697
  Sterimol/B4: 5.67599  Sterimol/L: 14.461 
 
 Surface and Volume Properties
  Accessible surface: 522.686  Positive charged surface: 234.283  Negative charged surface: 288.402  Volume: 263.75
  Hydrophobic surface: 413.337  Hydrophilic surface: 109.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02229504
NCID-ZINC01568752