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NCID-ZINC01600746

 MMsINC code: MMs02253833
Type: Neutral
Formula: C24H22O3S
SMILES:   S(OCC(C)c1c2c3c(ccc2ccc1)cccc3)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C24H22O3S/c1-17-10-14-21(15-11-17)28(25,26)27-16-18(2)22-9-5-7-20-13-12-19-6-3-4-8-23(19)24(20)22/h3-15,18H,16H2,1-2H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=211.905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.503 g/mol  logS: -8.04095  SlogP: 5.81042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134214  Sterimol/B1: 2.74787  Sterimol/B2: 5.06363  Sterimol/B3: 5.96756
  Sterimol/B4: 6.82826  Sterimol/L: 15.8933 
 
 Surface and Volume Properties
  Accessible surface: 626.07  Positive charged surface: 313.787  Negative charged surface: 291.386  Volume: 366.75
  Hydrophobic surface: 551.407  Hydrophilic surface: 74.663
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.