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NCID-ZINC01659573

 MMsINC code: MMs02297166
Type: Neutral
Formula: C15H9NO2S
SMILES:   S=C(N1C(=O)c2c(cccc2)C1=O)c1ccccc1
InChI:   InChI=1/C15H9NO2S/c17-13-11-8-4-5-9-12(11)14(18)16(13)15(19)10-6-2-1-3-7-10/h1-9H

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Potential Energy
Epot(MMFF94)=81.1152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.308 g/mol  logS: -5.34322  SlogP: 2.6583  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0918532  Sterimol/B1: 2.2445  Sterimol/B2: 3.21351  Sterimol/B3: 5.24513
  Sterimol/B4: 5.63195  Sterimol/L: 13.7048 
 
 Surface and Volume Properties
  Accessible surface: 467.571  Positive charged surface: 199.083  Negative charged surface: 268.488  Volume: 241.375
  Hydrophobic surface: 338.395  Hydrophilic surface: 129.176
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.