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CHEMBRIDGE-ZINC00351743

 MMsINC code: MMs00609051
Type: Neutral
Formula: C13H15ClN2O2S
SMILES:   Clc1ccc(cc1)C(=O)NC(=S)NCC1OCCC1
InChI:   InChI=1/C13H15ClN2O2S/c14-10-5-3-9(4-6-10)12(17)16-13(19)15-8-11-2-1-7-18-11/h3-6,11H,1-2,7-8H2,(H2,15,16,17,19)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=77.5218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.794 g/mol  logS: -4.42381  SlogP: 2.1233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0186075  Sterimol/B1: 2.8584  Sterimol/B2: 3.21383  Sterimol/B3: 3.91524
  Sterimol/B4: 5.28915  Sterimol/L: 17.8148 
 
 Surface and Volume Properties
  Accessible surface: 525.46  Positive charged surface: 292.607  Negative charged surface: 232.853  Volume: 263.75
  Hydrophobic surface: 405.249  Hydrophilic surface: 120.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  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.