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ENAMINE-ZINC03077858

 MMsINC code: MMs01289889
Type: Neutral
Formula: C16H15NO4S
SMILES:   S(=O)(=O)(\N=C(/OC(=O)c1ccccc1)\C)c1ccc(cc1)C
InChI:   InChI=1/C16H15NO4S/c1-12-8-10-15(11-9-12)22(19,20)17-13(2)21-16(18)14-6-4-3-5-7-14/h3-11H,1-2H3/b17-13-

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Potential Energy
Epot(MMFF94)=75.3153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.365 g/mol  logS: -4.68539  SlogP: 2.95912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108976  Sterimol/B1: 2.91354  Sterimol/B2: 3.32757  Sterimol/B3: 4.66322
  Sterimol/B4: 7.01958  Sterimol/L: 16.1407 
 
 Surface and Volume Properties
  Accessible surface: 551.852  Positive charged surface: 291.234  Negative charged surface: 260.619  Volume: 287
  Hydrophobic surface: 483.18  Hydrophilic surface: 68.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.