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CHEMDIV-ZINC06876994

 MMsINC code: MMs01052088
Type: Neutral
Formula: C19H22N2O3S
SMILES:   S1c2c(N(CC1CC)C(=O)Nc1cc(OC)c(OC)cc1)cccc2
InChI:   InChI=1/C19H22N2O3S/c1-4-14-12-21(15-7-5-6-8-18(15)25-14)19(22)20-13-9-10-16(23-2)17(11-13)24-3/h5-11,14H,4,12H2,1-3H3,(H,20,22)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=133.795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.462 g/mol  logS: -4.94604  SlogP: 4.6266  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0901129  Sterimol/B1: 2.43707  Sterimol/B2: 2.54004  Sterimol/B3: 5.70628
  Sterimol/B4: 9.26685  Sterimol/L: 16.0226 
 
 Surface and Volume Properties
  Accessible surface: 612.478  Positive charged surface: 434.028  Negative charged surface: 178.45  Volume: 339.75
  Hydrophobic surface: 525.008  Hydrophilic surface: 87.47
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.