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ENAMINE-ZINC06086130

 MMsINC code: MMs01655030
Type: Neutral
Formula: C16H16ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)N(CC(O)=O)c2cc(C)c(cc2)C)cc1
InChI:   InChI=1/C16H16ClNO4S/c1-11-3-6-14(9-12(11)2)18(10-16(19)20)23(21,22)15-7-4-13(17)5-8-15/h3-9H,10H2,1-2H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=84.1504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.826 g/mol  logS: -4.80027  SlogP: 3.23674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0842324  Sterimol/B1: 2.47918  Sterimol/B2: 3.67659  Sterimol/B3: 4.31774
  Sterimol/B4: 9.07126  Sterimol/L: 14.3916 
 
 Surface and Volume Properties
  Accessible surface: 548.047  Positive charged surface: 253.187  Negative charged surface: 294.86  Volume: 303.375
  Hydrophobic surface: 407.388  Hydrophilic surface: 140.659
 
 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


MMs01655031
ENAMINE-ZINC06086130