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ASINEX-ZINC01081631

 MMsINC code: MMs00228561
Type: Neutral
Formula: C19H24N2O2S2
SMILES:   s1c2CC(CCc2c(C(=O)N(CC)CC)c1NC(=O)c1sccc1)C
InChI:   InChI=1/C19H24N2O2S2/c1-4-21(5-2)19(23)16-13-9-8-12(3)11-15(13)25-18(16)20-17(22)14-7-6-10-24-14/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=62.1372 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.545 g/mol  logS: -5.42514  SlogP: 4.66864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0799148  Sterimol/B1: 2.53876  Sterimol/B2: 5.5289  Sterimol/B3: 5.82092
  Sterimol/B4: 6.60295  Sterimol/L: 16.8812 
 
 Surface and Volume Properties
  Accessible surface: 612.377  Positive charged surface: 369.088  Negative charged surface: 243.289  Volume: 358.5
  Hydrophobic surface: 503.338  Hydrophilic surface: 109.039
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.