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NCID-ZINC01726536

 MMsINC code: MMs02350248
Type: Neutral
Formula: C10H13ClN2O4S2
SMILES:   Clc1ccc(S(=O)(=O)NC(=O)NCCS(=O)C)cc1
InChI:   InChI=1/C10H13ClN2O4S2/c1-18(15)7-6-12-10(14)13-19(16,17)9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3,(H2,12,13,14)/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=-25.8039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.809 g/mol  logS: -2.64622  SlogP: 0.7064  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0799674  Sterimol/B1: 3.0774  Sterimol/B2: 4.38855  Sterimol/B3: 4.58351
  Sterimol/B4: 5.67884  Sterimol/L: 15.7931 
 
 Surface and Volume Properties
  Accessible surface: 530.054  Positive charged surface: 268.054  Negative charged surface: 262  Volume: 256
  Hydrophobic surface: 372.537  Hydrophilic surface: 157.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.