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ENAMINE-ZINC03288079

 MMsINC code: MMs01351635
Type: Neutral
Formula: C18H16N2O4S
SMILES:   s1c2cc(ccc2nc1NC(=O)COC(=O)c1ccccc1OC)C
InChI:   InChI=1/C18H16N2O4S/c1-11-7-8-13-15(9-11)25-18(19-13)20-16(21)10-24-17(22)12-5-3-4-6-14(12)23-2/h3-9H,10H2,1-2H3,(H,19,20,21)

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Potential Energy
Epot(MMFF94)=86.1496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.402 g/mol  logS: -5.57419  SlogP: 3.40882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00369407  Sterimol/B1: 2.38379  Sterimol/B2: 2.51197  Sterimol/B3: 4.67458
  Sterimol/B4: 5.15693  Sterimol/L: 20.0381 
 
 Surface and Volume Properties
  Accessible surface: 627.704  Positive charged surface: 386.081  Negative charged surface: 241.622  Volume: 323.375
  Hydrophobic surface: 510.56  Hydrophilic surface: 117.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.