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NCID-ZINC01618707

 MMsINC code: MMs02267394
Type: Neutral
Formula: C12H17ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N(CC)C(=O)NCCC)cc1
InChI:   InChI=1/C12H17ClN2O3S/c1-3-9-14-12(16)15(4-2)19(17,18)11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,14,16)

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Potential Energy
Epot(MMFF94)=-9.57237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.798 g/mol  logS: -3.13577  SlogP: 2.4702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103068  Sterimol/B1: 3.24347  Sterimol/B2: 3.32869  Sterimol/B3: 4.81328
  Sterimol/B4: 7.07583  Sterimol/L: 15.0581 
 
 Surface and Volume Properties
  Accessible surface: 518.558  Positive charged surface: 281.27  Negative charged surface: 237.289  Volume: 268.5
  Hydrophobic surface: 399.507  Hydrophilic surface: 119.051
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.