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APOLLO-ZINC00080688

 MMsINC code: MMs00042420
Type: Neutral
Formula: C12H10ClNO2S
SMILES:   Clc1ccc(cc1)-c1sc(C(OC)=O)c(N)c1
InChI:   InChI=1/C12H10ClNO2S/c1-16-12(15)11-9(14)6-10(17-11)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3

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Potential Energy
Epot(MMFF94)=45.1769 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.736 g/mol  logS: -4.42363  SlogP: 3.4373  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00447187  Sterimol/B1: 2.37477  Sterimol/B2: 2.37533  Sterimol/B3: 2.67017
  Sterimol/B4: 6.28839  Sterimol/L: 15.6686 
 
 Surface and Volume Properties
  Accessible surface: 461.938  Positive charged surface: 236.154  Negative charged surface: 225.784  Volume: 232
  Hydrophobic surface: 374.586  Hydrophilic surface: 87.352
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.