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ENAMINE-ZINC03531021

 MMsINC code: MMs01493741
Type: Neutral
Formula: C15H14ClNO5S2
SMILES:   Clc1c2c(sc1C(OCC(=O)NC1CCS(=O)(=O)C1)=O)cccc2
InChI:   InChI=1/C15H14ClNO5S2/c16-13-10-3-1-2-4-11(10)23-14(13)15(19)22-7-12(18)17-9-5-6-24(20,21)8-9/h1-4,9H,5-8H2,(H,17,18)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=56.1033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.864 g/mol  logS: -4.7886  SlogP: 2.0148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0224685  Sterimol/B1: 3.45188  Sterimol/B2: 3.67082  Sterimol/B3: 4.22265
  Sterimol/B4: 5.17829  Sterimol/L: 19.2509 
 
 Surface and Volume Properties
  Accessible surface: 603.483  Positive charged surface: 284.8  Negative charged surface: 313.148  Volume: 310.125
  Hydrophobic surface: 448.724  Hydrophilic surface: 154.759
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.