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MAYBRIDGE-ZINC04351746

 MMsINC code: MMs02170564
Type: Neutral
Formula: C12H10ClNO2S2
SMILES:   Clc1ccc(cc1)C(=O)N=S(=O)(C)c1sccc1
InChI:   InChI=1/C12H10ClNO2S2/c1-18(16,11-3-2-8-17-11)14-12(15)9-4-6-10(13)7-5-9/h2-8H,1H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=57.4487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.802 g/mol  logS: -4.32075  SlogP: 3.8037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0762103  Sterimol/B1: 2.32425  Sterimol/B2: 2.35962  Sterimol/B3: 4.34512
  Sterimol/B4: 7.06957  Sterimol/L: 14.0594 
 
 Surface and Volume Properties
  Accessible surface: 479.333  Positive charged surface: 176.989  Negative charged surface: 302.344  Volume: 246.875
  Hydrophobic surface: 417.538  Hydrophilic surface: 61.795
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 1  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: no related molecules available.