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ENAMINE-ZINC03565921

 MMsINC code: MMs01511378
Type: Neutral
Formula: C14H14ClNO5S
SMILES:   Clc1ccc(S(=O)(=O)N(C)C)cc1C(OCc1occc1)=O
InChI:   InChI=1/C14H14ClNO5S/c1-16(2)22(18,19)11-5-6-13(15)12(8-11)14(17)21-9-10-4-3-7-20-10/h3-8H,9H2,1-2H3

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Potential Energy
Epot(MMFF94)=48.7618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.787 g/mol  logS: -3.93393  SlogP: 2.8067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0733984  Sterimol/B1: 2.33074  Sterimol/B2: 2.77551  Sterimol/B3: 4.38368
  Sterimol/B4: 9.29181  Sterimol/L: 14.0992 
 
 Surface and Volume Properties
  Accessible surface: 562.001  Positive charged surface: 306.082  Negative charged surface: 255.919  Volume: 288.625
  Hydrophobic surface: 457.238  Hydrophilic surface: 104.763
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.