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ENAMINE-ZINC06788824

 MMsINC code: MMs01698420
Type: Neutral
Formula: C15H13ClN4O3S
SMILES:   Clc1ncc(S(=O)(=O)NNC(=O)c2c3c(n(c2)C)cccc3)cc1
InChI:   InChI=1/C15H13ClN4O3S/c1-20-9-12(11-4-2-3-5-13(11)20)15(21)18-19-24(22,23)10-6-7-14(16)17-8-10/h2-9,19H,1H3,(H,18,21)

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Potential Energy
Epot(MMFF94)=81.3308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.813 g/mol  logS: -3.52921  SlogP: 2.2092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0312847  Sterimol/B1: 2.48211  Sterimol/B2: 2.64269  Sterimol/B3: 3.88021
  Sterimol/B4: 7.86887  Sterimol/L: 16.257 
 
 Surface and Volume Properties
  Accessible surface: 572.574  Positive charged surface: 265.656  Negative charged surface: 301.078  Volume: 304.75
  Hydrophobic surface: 411.746  Hydrophilic surface: 160.828
 
 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.