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PUBCHEM-ZINC06855083

 MMsINC code: MMs03874776
Type: Neutral
Formula: C7H8ClNO4
SMILES:   ClCC(=O)N1C(CCC1=O)C(O)=O
InChI:   InChI=1/C7H8ClNO4/c8-3-6(11)9-4(7(12)13)1-2-5(9)10/h4H,1-3H2,(H,12,13)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=27.7084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.597 g/mol  logS: -1.03808  SlogP: -0.1726  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.110663  Sterimol/B1: 2.74018  Sterimol/B2: 3.13459  Sterimol/B3: 3.33307
  Sterimol/B4: 5.28188  Sterimol/L: 10.2873 
 
 Surface and Volume Properties
  Accessible surface: 359.346  Positive charged surface: 186.921  Negative charged surface: 172.425  Volume: 162.125
  Hydrophobic surface: 149.792  Hydrophilic surface: 209.554
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03874777
PUBCHEM-ZINC06855083