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CHEMDIV-ZINC06732900

 MMsINC code: MMs01004414
Type: Neutral
Formula: C15H14N2O3S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C)c1cc2CC(=O)Nc2cc1
InChI:   InChI=1/C15H14N2O3S/c1-10-2-4-12(5-3-10)17-21(19,20)13-6-7-14-11(8-13)9-15(18)16-14/h2-8,17H,9H2,1H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=44.3449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.354 g/mol  logS: -3.9066  SlogP: 2.29039  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156446  Sterimol/B1: 2.27308  Sterimol/B2: 3.82818  Sterimol/B3: 3.91673
  Sterimol/B4: 7.59669  Sterimol/L: 14.4486 
 
 Surface and Volume Properties
  Accessible surface: 505.863  Positive charged surface: 292.422  Negative charged surface: 213.441  Volume: 265.25
  Hydrophobic surface: 340.97  Hydrophilic surface: 164.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.