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CHEMDIV-ZINC04760286

 MMsINC code: MMs00948177
Type: Neutral
Formula: C26H28N2O4S
SMILES:   s1cccc1C1N(C)C(=O)c2c(cc(OC)c(OC)c2)C1C(=O)Nc1ccc(cc1)C(C)C
InChI:   InChI=1/C26H28N2O4S/c1-15(2)16-8-10-17(11-9-16)27-25(29)23-18-13-20(31-4)21(32-5)14-19(18)26(30)28(3)24(23)22-7-6-12-33-22/h6-15,23-24H,1-5H3,(H,27,29)/t23-,24-/m0/s1

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Potential Energy
Epot(MMFF94)=167.644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.586 g/mol  logS: -6.65957  SlogP: 5.5334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173347  Sterimol/B1: 3.29535  Sterimol/B2: 3.89694  Sterimol/B3: 5.40921
  Sterimol/B4: 10.5174  Sterimol/L: 17.0229 
 
 Surface and Volume Properties
  Accessible surface: 731.887  Positive charged surface: 512.712  Negative charged surface: 219.175  Volume: 438.625
  Hydrophobic surface: 631.149  Hydrophilic surface: 100.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.