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ENAMINE-ZINC03301657

 MMsINC code: MMs01358909
Type: Neutral
Formula: C17H14Cl2N2O3S2
SMILES:   Clc1c2c(sc1C(=O)NCCc1ccc(S(=O)(=O)N)cc1)cc(Cl)cc2
InChI:   InChI=1/C17H14Cl2N2O3S2/c18-11-3-6-13-14(9-11)25-16(15(13)19)17(22)21-8-7-10-1-4-12(5-2-10)26(20,23)24/h1-6,9H,7-8H2,(H,21,22)(H2,20,23,24)

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Potential Energy
Epot(MMFF94)=30.5005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.348 g/mol  logS: -6.70892  SlogP: 3.82797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0261172  Sterimol/B1: 2.42753  Sterimol/B2: 3.7808  Sterimol/B3: 4.81663
  Sterimol/B4: 5.32151  Sterimol/L: 21.7054 
 
 Surface and Volume Properties
  Accessible surface: 646.849  Positive charged surface: 267.016  Negative charged surface: 373.692  Volume: 343.75
  Hydrophobic surface: 476.984  Hydrophilic surface: 169.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs01358910
ENAMINE-ZINC03301657