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NCID-ZINC01691083

 MMsINC code: MMs02323234
Type: Ionized
Formula: C4H3Cl3NO3-
SMILES:   ClC(Cl)(Cl)C(=O)NCC(=O)[O-]
InChI:   InChI=1/C4H4Cl3NO3/c5-4(6,7)3(11)8-1-2(9)10/h1H2,(H,8,11)(H,9,10)/p-1

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Potential Energy
Epot(MMFF94)=43.4966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.431 g/mol  logS: -2.42716  SlogP: -0.3574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.089734  Sterimol/B1: 3.05121  Sterimol/B2: 3.49258  Sterimol/B3: 3.51941
  Sterimol/B4: 4.05896  Sterimol/L: 11.4041 
 
 Surface and Volume Properties
  Accessible surface: 348.133  Positive charged surface: 75.9197  Negative charged surface: 272.214  Volume: 150
  Hydrophobic surface: 42.6276  Hydrophilic surface: 305.5054
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs02323233
NCID-ZINC01691083