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NANOSIN-ZINC01920325

 MMsINC code: MMs02199958
Type: Neutral
Formula: C15H15N3O4S
SMILES:   S(=O)(=O)(NCC(=O)N\N=C\c1ccc(O)cc1)c1ccccc1
InChI:   InChI=1/C15H15N3O4S/c19-13-8-6-12(7-9-13)10-16-18-15(20)11-17-23(21,22)14-4-2-1-3-5-14/h1-10,17,19H,11H2,(H,18,20)/b16-10+

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Potential Energy
Epot(MMFF94)=63.7014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.368 g/mol  logS: -3.04062  SlogP: 0.8208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0359966  Sterimol/B1: 2.83623  Sterimol/B2: 2.87384  Sterimol/B3: 5.37951
  Sterimol/B4: 6.19369  Sterimol/L: 18.6673 
 
 Surface and Volume Properties
  Accessible surface: 588.378  Positive charged surface: 319.563  Negative charged surface: 268.816  Volume: 294.125
  Hydrophobic surface: 368.925  Hydrophilic surface: 219.453
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.