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PUBCHEM-ZINC06041949

 MMsINC code: MMs03508848
Type: Neutral
Formula: C20H32N2O2S
SMILES:   s1c2CC(CCc2c(C(=O)N)c1NC(=O)CCCCCC)C(C)(C)C
InChI:   InChI=1/C20H32N2O2S/c1-5-6-7-8-9-16(23)22-19-17(18(21)24)14-11-10-13(20(2,3)4)12-15(14)25-19/h13H,5-12H2,1-4H3,(H2,21,24)(H,22,23)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=71.0145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.554 g/mol  logS: -7.2238  SlogP: 4.90684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0250273  Sterimol/B1: 3.03943  Sterimol/B2: 3.30148  Sterimol/B3: 3.433
  Sterimol/B4: 8.13713  Sterimol/L: 21.42 
 
 Surface and Volume Properties
  Accessible surface: 670.26  Positive charged surface: 477.929  Negative charged surface: 192.33  Volume: 371.125
  Hydrophobic surface: 467.809  Hydrophilic surface: 202.451
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.