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IBS-ZINC02337899

 MMsINC code: MMs01836383
Type: Neutral
Formula: C14H7Cl2NO3S
SMILES:   Clc1ccc(Cl)cc1-c1oc(cc1)\C=C/1\SC(=O)NC\1=O
InChI:   InChI=1/C14H7Cl2NO3S/c15-7-1-3-10(16)9(5-7)11-4-2-8(20-11)6-12-13(18)17-14(19)21-12/h1-6H,(H,17,18,19)/b12-6+

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Potential Energy
Epot(MMFF94)=45.6225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.186 g/mol  logS: -6.70599  SlogP: 4.5773  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0644645  Sterimol/B1: 2.88951  Sterimol/B2: 4.04285  Sterimol/B3: 4.14646
  Sterimol/B4: 6.68664  Sterimol/L: 14.9787 
 
 Surface and Volume Properties
  Accessible surface: 506.992  Positive charged surface: 188.021  Negative charged surface: 318.971  Volume: 266.5
  Hydrophobic surface: 349.208  Hydrophilic surface: 157.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.