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CHEMDIV-ZINC00039154

 MMsINC code: MMs00829646
Type: Neutral
Formula: C15H16N2O2S
SMILES:   S1\C(=C/c2ccccc2O)\C(=O)N=C1N1CCCCC1
InChI:   InChI=1/C15H16N2O2S/c18-12-7-3-2-6-11(12)10-13-14(19)16-15(20-13)17-8-4-1-5-9-17/h2-3,6-7,10,18H,1,4-5,8-9H2/b13-10-

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Potential Energy
Epot(MMFF94)=68.1083 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.371 g/mol  logS: -3.47164  SlogP: 2.8484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412746  Sterimol/B1: 2.42804  Sterimol/B2: 2.49394  Sterimol/B3: 3.81532
  Sterimol/B4: 7.35808  Sterimol/L: 15.2344 
 
 Surface and Volume Properties
  Accessible surface: 507.858  Positive charged surface: 329.771  Negative charged surface: 178.087  Volume: 267.25
  Hydrophobic surface: 363.519  Hydrophilic surface: 144.339
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.