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PUBCHEM-ZINC02030282

 MMsINC code: MMs02858837
Type: Neutral
Formula: C8H14ClNO3
SMILES:   ClCC(=O)NC(CCCC)C(O)=O
InChI:   InChI=1/C8H14ClNO3/c1-2-3-4-6(8(12)13)10-7(11)5-9/h6H,2-5H2,1H3,(H,10,11)(H,12,13)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=26.4504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.657 g/mol  logS: -2.08365  SlogP: 0.9848  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0917431  Sterimol/B1: 2.98119  Sterimol/B2: 3.05609  Sterimol/B3: 3.64447
  Sterimol/B4: 6.53841  Sterimol/L: 12.6557 
 
 Surface and Volume Properties
  Accessible surface: 421.983  Positive charged surface: 250.14  Negative charged surface: 171.842  Volume: 190.875
  Hydrophobic surface: 203.711  Hydrophilic surface: 218.272
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02858838
PUBCHEM-ZINC02030282