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ENAMINE-ZINC02654270

 MMsINC code: MMs01277640
Type: Neutral
Formula: C19H18N2O4S
SMILES:   S(=O)(=O)(N\N=C\c1c2c(ccc1O)cccc2)c1ccc(OCC)cc1
InChI:   InChI=1/C19H18N2O4S/c1-2-25-15-8-10-16(11-9-15)26(23,24)21-20-13-18-17-6-4-3-5-14(17)7-12-19(18)22/h3-13,21-22H,2H2,1H3/b20-13+

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Potential Energy
Epot(MMFF94)=118.211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.429 g/mol  logS: -5.40616  SlogP: 3.2565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0840168  Sterimol/B1: 2.3975  Sterimol/B2: 2.68541  Sterimol/B3: 5.20783
  Sterimol/B4: 9.12324  Sterimol/L: 17.5318 
 
 Surface and Volume Properties
  Accessible surface: 615.844  Positive charged surface: 347.612  Negative charged surface: 257.65  Volume: 336.125
  Hydrophobic surface: 456.946  Hydrophilic surface: 158.898
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.