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CHEMBLOCK-ZINC01063107

 MMsINC code: MMs00512164
Type: Neutral
Formula: C16H12ClNO2S2
SMILES:   Clc1cc(ccc1C)-c1oc(cc1)\C=C\1/SC(=S)N(C)C/1=O
InChI:   InChI=1/C16H12ClNO2S2/c1-9-3-4-10(7-12(9)17)13-6-5-11(20-13)8-14-15(19)18(2)16(21)22-14/h3-8H,1-2H3/b14-8-

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Potential Energy
Epot(MMFF94)=46.333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.862 g/mol  logS: -7.27946  SlogP: 4.73942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00530808  Sterimol/B1: 2.33632  Sterimol/B2: 2.51223  Sterimol/B3: 4.06309
  Sterimol/B4: 7.44546  Sterimol/L: 16.5958 
 
 Surface and Volume Properties
  Accessible surface: 562.451  Positive charged surface: 255.144  Negative charged surface: 307.307  Volume: 299.5
  Hydrophobic surface: 421.723  Hydrophilic surface: 140.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.