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ASINEX-ZINC00284468

 MMsINC code: MMs00108319
Type: Ionized
Formula: C18H24NO2S-
SMILES:   S(=O)([O-])(=[NH])c1cc(cc2c1cc(cc2)C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C18H24NO2S/c1-17(2,3)13-8-7-12-9-14(18(4,5)6)11-16(15(12)10-13)22(19,20)21/h7-11H,1-6H3,(H-,19,20,21)/q-1

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Potential Energy
Epot(MMFF94)=78.1312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.461 g/mol  logS: -7.55292  SlogP: 4.4064  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0736409  Sterimol/B1: 2.92944  Sterimol/B2: 3.61558  Sterimol/B3: 3.72961
  Sterimol/B4: 7.29028  Sterimol/L: 14.8012 
 
 Surface and Volume Properties
  Accessible surface: 553.666  Positive charged surface: 307.41  Negative charged surface: 234.3  Volume: 319.25
  Hydrophobic surface: 368.894  Hydrophilic surface: 184.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 3  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:


MMs00108318
ASINEX-ZINC00284468