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ENAMINE-ZINC03065491

 MMsINC code: MMs01289372
Type: Neutral
Formula: C15H13N3O3S
SMILES:   S(=O)(=O)(N\N=C\1/c2cc(ccc2NC/1=O)C)c1ccccc1
InChI:   InChI=1/C15H13N3O3S/c1-10-7-8-13-12(9-10)14(15(19)16-13)17-18-22(20,21)11-5-3-2-4-6-11/h2-9,18H,1H3,(H,16,17,19)

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Potential Energy
Epot(MMFF94)=90.0524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.353 g/mol  logS: -4.63629  SlogP: 1.62972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0885027  Sterimol/B1: 2.09682  Sterimol/B2: 4.1399  Sterimol/B3: 4.18487
  Sterimol/B4: 8.16704  Sterimol/L: 13.7662 
 
 Surface and Volume Properties
  Accessible surface: 531.797  Positive charged surface: 277.237  Negative charged surface: 254.56  Volume: 273.125
  Hydrophobic surface: 368.559  Hydrophilic surface: 163.238
 
 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.