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ASINEX-ZINC00093625

 MMsINC code: MMs00073698
Type: Neutral
Formula: C18H13NO3S
SMILES:   S1(=O)(=O)N(Cc2c3c(ccc2)cccc3)C(=O)c2c1cccc2
InChI:   InChI=1/C18H13NO3S/c20-18-16-10-3-4-11-17(16)23(21,22)19(18)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2

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Potential Energy
Epot(MMFF94)=62.6706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.372 g/mol  logS: -5.47225  SlogP: 3.4509  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13698  Sterimol/B1: 2.63897  Sterimol/B2: 2.70095  Sterimol/B3: 4.80459
  Sterimol/B4: 7.20341  Sterimol/L: 13.4952 
 
 Surface and Volume Properties
  Accessible surface: 507.79  Positive charged surface: 245.899  Negative charged surface: 252.762  Volume: 283.125
  Hydrophobic surface: 421.831  Hydrophilic surface: 85.959
 
 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.