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ASINEX-ZINC01326660

 MMsINC code: MMs00235511
Type: Neutral
Formula: C19H24N2OS
SMILES:   s1c2c(nc1C1CCN(CC1)C(=O)C1CCCCC1)cccc2
InChI:   InChI=1/C19H24N2OS/c22-19(15-6-2-1-3-7-15)21-12-10-14(11-13-21)18-20-16-8-4-5-9-17(16)23-18/h4-5,8-9,14-15H,1-3,6-7,10-13H2

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Potential Energy
Epot(MMFF94)=44.4743 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.48 g/mol  logS: -4.28488  SlogP: 4.5826  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0699486  Sterimol/B1: 3.1576  Sterimol/B2: 3.65258  Sterimol/B3: 4.29982
  Sterimol/B4: 5.04466  Sterimol/L: 17.9853 
 
 Surface and Volume Properties
  Accessible surface: 582.017  Positive charged surface: 397.654  Negative charged surface: 184.363  Volume: 328.125
  Hydrophobic surface: 534.632  Hydrophilic surface: 47.385
 
 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.