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NANOSIN-ZINC01884638

 MMsINC code: MMs02199832
Type: Neutral
Formula: C15H12O4S
SMILES:   S(Oc1ccc(cc1)C=O)(=O)(=O)\C=C\c1ccccc1
InChI:   InChI=1/C15H12O4S/c16-12-14-6-8-15(9-7-14)19-20(17,18)11-10-13-4-2-1-3-5-13/h1-12H/b11-10+

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Potential Energy
Epot(MMFF94)=78.0423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.323 g/mol  logS: -3.70493  SlogP: 2.8786  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0244406  Sterimol/B1: 3.15118  Sterimol/B2: 3.16635  Sterimol/B3: 3.35594
  Sterimol/B4: 7.04846  Sterimol/L: 15.2533 
 
 Surface and Volume Properties
  Accessible surface: 502.245  Positive charged surface: 235.669  Negative charged surface: 266.576  Volume: 256.375
  Hydrophobic surface: 362.799  Hydrophilic surface: 139.446
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.