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PUBCHEM-ZINC06292526

 MMsINC code: MMs03659965
Type: Neutral
Formula: C6H10ClNO4
SMILES:   ClCCC(=O)NC(C(O)=O)CO
InChI:   InChI=1/C6H10ClNO4/c7-2-1-5(10)8-4(3-9)6(11)12/h4,9H,1-3H2,(H,8,10)(H,11,12)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=16.9042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.602 g/mol  logS: -0.20361  SlogP: -0.823  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0951776  Sterimol/B1: 2.69001  Sterimol/B2: 2.87394  Sterimol/B3: 3.34906
  Sterimol/B4: 4.47628  Sterimol/L: 11.9113 
 
 Surface and Volume Properties
  Accessible surface: 380.957  Positive charged surface: 227.816  Negative charged surface: 153.141  Volume: 163.25
  Hydrophobic surface: 140.296  Hydrophilic surface: 240.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03659966
PUBCHEM-ZINC06292526