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PUBCHEM-ZINC06252192

 MMsINC code: MMs03639569
Type: Neutral
Formula: C15H16N2O3S
SMILES:   s1cccc1C(=O)NC(C(=O)NCc1ccccc1)CO
InChI:   InChI=1/C15H16N2O3S/c18-10-12(17-15(20)13-7-4-8-21-13)14(19)16-9-11-5-2-1-3-6-11/h1-8,12,18H,9-10H2,(H,16,19)(H,17,20)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=47.1711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.37 g/mol  logS: -3.07561  SlogP: 1.4216  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0594525  Sterimol/B1: 3.14815  Sterimol/B2: 3.76287  Sterimol/B3: 4.23003
  Sterimol/B4: 4.73005  Sterimol/L: 18.2078 
 
 Surface and Volume Properties
  Accessible surface: 561.86  Positive charged surface: 302.922  Negative charged surface: 258.938  Volume: 283.25
  Hydrophobic surface: 437.127  Hydrophilic surface: 124.733
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.