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CHEMDIV-ZINC06939031

 MMsINC code: MMs01065624
Type: Neutral
Formula: C19H19N3O4S
SMILES:   S(=O)(=O)(N1CCCCC1)c1ccc(cc1)CN1C(=O)c2c(nccc2)C1=O
InChI:   InChI=1/C19H19N3O4S/c23-18-16-5-4-10-20-17(16)19(24)22(18)13-14-6-8-15(9-7-14)27(25,26)21-11-2-1-3-12-21/h4-10H,1-3,11-13H2

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Potential Energy
Epot(MMFF94)=50.2187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.444 g/mol  logS: -3.26512  SlogP: 2.3188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600489  Sterimol/B1: 2.67795  Sterimol/B2: 3.27741  Sterimol/B3: 4.73891
  Sterimol/B4: 5.56824  Sterimol/L: 18.7499 
 
 Surface and Volume Properties
  Accessible surface: 608.461  Positive charged surface: 378.824  Negative charged surface: 229.637  Volume: 342.125
  Hydrophobic surface: 450.742  Hydrophilic surface: 157.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.