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IBS-ZINC02316304

 MMsINC code: MMs01830710
Type: Neutral
Formula: C14H12ClN3O2S2
SMILES:   Clc1ccc(cc1)CC(=O)NNC(=S)NC(=O)c1sccc1
InChI:   InChI=1/C14H12ClN3O2S2/c15-10-5-3-9(4-6-10)8-12(19)17-18-14(21)16-13(20)11-2-1-7-22-11/h1-7H,8H2,(H,17,19)(H2,16,18,20,21)

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Potential Energy
Epot(MMFF94)=86.6947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.854 g/mol  logS: -5.46775  SlogP: 2.27967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0366629  Sterimol/B1: 3.52977  Sterimol/B2: 3.61795  Sterimol/B3: 3.61931
  Sterimol/B4: 7.34557  Sterimol/L: 19.3454 
 
 Surface and Volume Properties
  Accessible surface: 586.352  Positive charged surface: 238.793  Negative charged surface: 347.559  Volume: 297.625
  Hydrophobic surface: 418.039  Hydrophilic surface: 168.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.