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MAYBRIDGE-ZINC00154154

 MMsINC code: MMs02142572
Type: Neutral
Formula: C14H15N3O3S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)Nc2cc(ccc2)C)cc1
InChI:   InChI=1/C14H15N3O3S/c1-10-3-2-4-12(9-10)17-14(18)16-11-5-7-13(8-6-11)21(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)

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Potential Energy
Epot(MMFF94)=34.1097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.358 g/mol  logS: -3.95258  SlogP: 2.28642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0512413  Sterimol/B1: 2.1814  Sterimol/B2: 2.74495  Sterimol/B3: 3.76966
  Sterimol/B4: 6.50802  Sterimol/L: 16.7156 
 
 Surface and Volume Properties
  Accessible surface: 545.572  Positive charged surface: 303.155  Negative charged surface: 242.417  Volume: 268.25
  Hydrophobic surface: 352.729  Hydrophilic surface: 192.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02142573
MAYBRIDGE-ZINC00154154