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PUBCHEM-ZINC06592811

 MMsINC code: MMs03811474
Type: Ionized
Formula: C8H12Cl2NO3-
SMILES:   ClC(Cl)C(=O)NC(CCCC)C(=O)[O-]
InChI:   InChI=1/C8H13Cl2NO3/c1-2-3-4-5(8(13)14)11-7(12)6(9)10/h5-6H,2-4H2,1H3,(H,11,12)(H,13,14)/p-1/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=36.9037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.094 g/mol  logS: -2.99011  SlogP: 0.6349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112332  Sterimol/B1: 3.08427  Sterimol/B2: 3.15478  Sterimol/B3: 4.20005
  Sterimol/B4: 6.61338  Sterimol/L: 12.2023 
 
 Surface and Volume Properties
  Accessible surface: 437.323  Positive charged surface: 191.586  Negative charged surface: 245.737  Volume: 203.625
  Hydrophobic surface: 168.388  Hydrophilic surface: 268.935
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs03811473
PUBCHEM-ZINC06592811