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NCID-ZINC01757386

 MMsINC code: MMs02365371
Type: Neutral
Formula: C6H10ClNO4
SMILES:   ClC(O)C(NC(=O)C)C(OC)=O
InChI:   InChI=1/C6H10ClNO4/c1-3(9)8-4(5(7)10)6(11)12-2/h4-5,10H,1-2H3,(H,8,9)/t4-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=33.0962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.602 g/mol  logS: -0.62211  SlogP: -0.3588  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.106463  Sterimol/B1: 2.55666  Sterimol/B2: 2.85009  Sterimol/B3: 3.46772
  Sterimol/B4: 5.52171  Sterimol/L: 11.9436 
 
 Surface and Volume Properties
  Accessible surface: 373.112  Positive charged surface: 237.056  Negative charged surface: 136.055  Volume: 160.75
  Hydrophobic surface: 206.7  Hydrophilic surface: 166.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.