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ENAMINE-ZINC03324461

 MMsINC code: MMs01372198
Type: Neutral
Formula: C17H18ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)NC(CCc2ccccc2)C)cc1C(O)=O
InChI:   InChI=1/C17H18ClNO4S/c1-12(7-8-13-5-3-2-4-6-13)19-24(22,23)14-9-10-16(18)15(11-14)17(20)21/h2-6,9-12,19H,7-8H2,1H3,(H,20,21)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=38.3675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.853 g/mol  logS: -4.2849  SlogP: 3.33777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0579473  Sterimol/B1: 2.20083  Sterimol/B2: 4.84265  Sterimol/B3: 4.99157
  Sterimol/B4: 5.81009  Sterimol/L: 18.0126 
 
 Surface and Volume Properties
  Accessible surface: 585.814  Positive charged surface: 293.765  Negative charged surface: 292.05  Volume: 320.875
  Hydrophobic surface: 412.056  Hydrophilic surface: 173.758
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01372199
ENAMINE-ZINC03324461