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ASINEX-ZINC00133701

 MMsINC code: MMs00080700
Type: Neutral
Formula: C11H11Cl2NO4S
SMILES:   Clc1cc(S(=O)(=O)N2CCCC2C(O)=O)ccc1Cl
InChI:   InChI=1/C11H11Cl2NO4S/c12-8-4-3-7(6-9(8)13)19(17,18)14-5-1-2-10(14)11(15)16/h3-4,6,10H,1-2,5H2,(H,15,16)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=51.5178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.184 g/mol  logS: -3.31524  SlogP: 2.2311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155583  Sterimol/B1: 3.69699  Sterimol/B2: 4.10473  Sterimol/B3: 4.27079
  Sterimol/B4: 5.36132  Sterimol/L: 12.8106 
 
 Surface and Volume Properties
  Accessible surface: 469.692  Positive charged surface: 220.536  Negative charged surface: 249.156  Volume: 249
  Hydrophobic surface: 351.27  Hydrophilic surface: 118.422
 
 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


MMs00080701
ASINEX-ZINC00133701