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OAKWOOD-ZINC04290544

 MMsINC code: MMs02551132
Type: Neutral
Formula: C10H10N2S2
SMILES:   S(\C(\S)=N/C#N)Cc1ccc(cc1)C
InChI:   InChI=1/C10H10N2S2/c1-8-2-4-9(5-3-8)6-14-10(13)12-7-11/h2-5H,6H2,1H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=21.764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.336 g/mol  logS: -4.78407  SlogP: 3.2615  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0458971  Sterimol/B1: 3.35578  Sterimol/B2: 3.61688  Sterimol/B3: 3.61849
  Sterimol/B4: 3.95874  Sterimol/L: 14.8674 
 
 Surface and Volume Properties
  Accessible surface: 442.981  Positive charged surface: 210.214  Negative charged surface: 232.768  Volume: 210.125
  Hydrophobic surface: 253.972  Hydrophilic surface: 189.009
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.