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ASINEX-ZINC04992805

 MMsINC code: MMs00425019
Type: Neutral
Formula: C7H13NO4S
SMILES:   S(=O)(=O)(N1CCCCC1C(O)=O)C
InChI:   InChI=1/C7H13NO4S/c1-13(11,12)8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=33.5509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.25 g/mol  logS: -0.22457  SlogP: -0.1149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.303759  Sterimol/B1: 2.11772  Sterimol/B2: 2.50208  Sterimol/B3: 4.37424
  Sterimol/B4: 6.02345  Sterimol/L: 8.86741 
 
 Surface and Volume Properties
  Accessible surface: 359.42  Positive charged surface: 231.537  Negative charged surface: 127.883  Volume: 172.125
  Hydrophobic surface: 231.049  Hydrophilic surface: 128.371
 
 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


MMs00425020
ASINEX-ZINC04992805