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PUBCHEM-ZINC02079118

 MMsINC code: MMs02870350
Type: Neutral
Formula: C15H14ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)N(CC(O)=O)c2cc(ccc2)C)cc1
InChI:   InChI=1/C15H14ClNO4S/c1-11-3-2-4-13(9-11)17(10-15(18)19)22(20,21)14-7-5-12(16)6-8-14/h2-9H,10H2,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=74.2064 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: 0.0925484  Sterimol/B1: 2.99044  Sterimol/B2: 4.17726  Sterimol/B3: 4.98915
  Sterimol/B4: 6.86807  Sterimol/L: 14.8162 
 
 Surface and Volume Properties
  Accessible surface: 527.153  Positive charged surface: 238.411  Negative charged surface: 288.742  Volume: 287.125
  Hydrophobic surface: 385.7  Hydrophilic surface: 141.453
 
 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


MMs02870351
PUBCHEM-ZINC02079118