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ASINEX-ZINC00060345

 MMsINC code: MMs00066857
Type: Neutral
Formula: C15H14ClNO4S
SMILES:   Clc1cc(N(S(=O)(=O)c2ccc(cc2)C)CC(O)=O)ccc1
InChI:   InChI=1/C15H14ClNO4S/c1-11-5-7-14(8-6-11)22(20,21)17(10-15(18)19)13-4-2-3-12(16)9-13/h2-9H,10H2,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=56.4435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.799 g/mol  logS: -4.32635  SlogP: 2.92832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132971  Sterimol/B1: 3.37386  Sterimol/B2: 4.35171  Sterimol/B3: 4.67292
  Sterimol/B4: 6.39656  Sterimol/L: 14.2752 
 
 Surface and Volume Properties
  Accessible surface: 535.502  Positive charged surface: 255.29  Negative charged surface: 280.212  Volume: 288.125
  Hydrophobic surface: 400.985  Hydrophilic surface: 134.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00066858
ASINEX-ZINC00060345