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ASINEX-ZINC02463099

 MMsINC code: MMs00271928
Type: Neutral
Formula: C14H16ClNO2S
SMILES:   Clc1c2c(sc1C(OCCCN(C)C)=O)cccc2
InChI:   InChI=1/C14H16ClNO2S/c1-16(2)8-5-9-18-14(17)13-12(15)10-6-3-4-7-11(10)19-13/h3-4,6-7H,5,8-9H2,1-2H3

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Potential Energy
Epot(MMFF94)=47.0136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.806 g/mol  logS: -4.25391  SlogP: 3.6632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0167823  Sterimol/B1: 2.40842  Sterimol/B2: 2.87514  Sterimol/B3: 3.63957
  Sterimol/B4: 6.40194  Sterimol/L: 17.9909 
 
 Surface and Volume Properties
  Accessible surface: 541.232  Positive charged surface: 336.023  Negative charged surface: 199.802  Volume: 274.125
  Hydrophobic surface: 505.635  Hydrophilic surface: 35.597
 
 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


MMs00271929
ASINEX-ZINC02463099