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ASINEX-ZINC02055699

 MMsINC code: MMs00261435
Type: Tautomer
Formula: C24H22N2S
SMILES:   S(C)c1ccc(cc1)-c1[nH]c(c(n1)-c1ccc(cc1)C)-c1ccc(cc1)C
InChI:   InChI=1/C24H22N2S/c1-16-4-8-18(9-5-16)22-23(19-10-6-17(2)7-11-19)26-24(25-22)20-12-14-21(27-3)15-13-20/h4-15H,1-3H3,(H,25,26)

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Potential Energy
Epot(MMFF94)=87.7859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.52 g/mol  logS: -9.43436  SlogP: 6.74944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0248046  Sterimol/B1: 2.22479  Sterimol/B2: 2.84939  Sterimol/B3: 3.16248
  Sterimol/B4: 10.3648  Sterimol/L: 18.5128 
 
 Surface and Volume Properties
  Accessible surface: 668.543  Positive charged surface: 378.677  Negative charged surface: 289.865  Volume: 376.625
  Hydrophobic surface: 605.036  Hydrophilic surface: 63.507
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Parent related molecule:


MMs00261434
ASINEX-ZINC02055699