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CHEMDIV-ZINC06778537

 MMsINC code: MMs01020777
Type: Neutral
Formula: C16H18N2O4S
SMILES:   S(=O)(=O)(Nc1cc(OC)ccc1)c1cc2N(CCOc2cc1)C
InChI:   InChI=1/C16H18N2O4S/c1-18-8-9-22-16-7-6-14(11-15(16)18)23(19,20)17-12-4-3-5-13(10-12)21-2/h3-7,10-11,17H,8-9H2,1-2H3

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Potential Energy
Epot(MMFF94)=119.418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.396 g/mol  logS: -3.22373  SlogP: 2.3246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128746  Sterimol/B1: 2.41068  Sterimol/B2: 4.63853  Sterimol/B3: 5.53531
  Sterimol/B4: 5.56131  Sterimol/L: 14.3984 
 
 Surface and Volume Properties
  Accessible surface: 549.981  Positive charged surface: 387.786  Negative charged surface: 162.195  Volume: 297.25
  Hydrophobic surface: 438.132  Hydrophilic surface: 111.849
 
 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.