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NCID-ZINC01703821

 MMsINC code: MMs02332786
Type: Neutral
Formula: C9H6Cl4O3
SMILES:   ClC(C(Cl)(Cl)Cl)c1cc(O)c(cc1)C(O)=O
InChI:   InChI=1/C9H6Cl4O3/c10-7(9(11,12)13)4-1-2-5(8(15)16)6(14)3-4/h1-3,7,14H,(H,15,16)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=75.9476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.956 g/mol  logS: -4.13893  SlogP: 4.2559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0784576  Sterimol/B1: 3.06101  Sterimol/B2: 3.72173  Sterimol/B3: 4.63585
  Sterimol/B4: 5.11226  Sterimol/L: 13.0542 
 
 Surface and Volume Properties
  Accessible surface: 427.114  Positive charged surface: 135.822  Negative charged surface: 291.292  Volume: 217.75
  Hydrophobic surface: 90.8232  Hydrophilic surface: 336.2908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02332787
NCID-ZINC01703821