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ENAMINE-ZINC02653526

 MMsINC code: MMs01277055
Type: Neutral
Formula: C14H11Cl2NO4S
SMILES:   Clc1cc(S(=O)(=O)Nc2ccc(cc2)CC(O)=O)ccc1Cl
InChI:   InChI=1/C14H11Cl2NO4S/c15-12-6-5-11(8-13(12)16)22(20,21)17-10-3-1-9(2-4-10)7-14(18)19/h1-6,8,17H,7H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=42.3108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.217 g/mol  logS: -4.54617  SlogP: 3.42127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131805  Sterimol/B1: 2.80837  Sterimol/B2: 4.76116  Sterimol/B3: 5.1768
  Sterimol/B4: 5.72276  Sterimol/L: 15.64 
 
 Surface and Volume Properties
  Accessible surface: 538.845  Positive charged surface: 233.352  Negative charged surface: 305.494  Volume: 284.875
  Hydrophobic surface: 364.126  Hydrophilic surface: 174.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01277056
ENAMINE-ZINC02653526