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NCID-ZINC05201811

 MMsINC code: MMs02447690
Type: Neutral
Formula: C6H12ClNO5
SMILES:   ClCC(O)C(O)C(O)C(O)C(=O)N
InChI:   InChI=1/C6H12ClNO5/c7-1-2(9)3(10)4(11)5(12)6(8)13/h2-5,9-12H,1H2,(H2,8,13)/t2-,3+,4+,5+/m1/s1

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Potential Energy
Epot(MMFF94)=65.8529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.617 g/mol  logS: 0.17578  SlogP: -2.8459  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.119208  Sterimol/B1: 2.7424  Sterimol/B2: 3.07785  Sterimol/B3: 3.7606
  Sterimol/B4: 3.93196  Sterimol/L: 12.2489 
 
 Surface and Volume Properties
  Accessible surface: 373.71  Positive charged surface: 207.959  Negative charged surface: 165.752  Volume: 172.75
  Hydrophobic surface: 82.6398  Hydrophilic surface: 291.0702
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.