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CHEMDIV-ZINC04759913

 MMsINC code: MMs00947961
Type: Neutral
Formula: C24H24N2O5S
SMILES:   s1cccc1C1N(C)C(=O)c2c(cc(OC)c(OC)c2)C1C(=O)Nc1cc(OC)ccc1
InChI:   InChI=1/C24H24N2O5S/c1-26-22(20-9-6-10-32-20)21(23(27)25-14-7-5-8-15(11-14)29-2)16-12-18(30-3)19(31-4)13-17(16)24(26)28/h5-13,21-22H,1-4H3,(H,25,27)/t21-,22-/m1/s1

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Potential Energy
Epot(MMFF94)=145.311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.531 g/mol  logS: -5.20559  SlogP: 4.4186  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144165  Sterimol/B1: 2.13695  Sterimol/B2: 2.20343  Sterimol/B3: 7.47125
  Sterimol/B4: 10.2805  Sterimol/L: 17.9218 
 
 Surface and Volume Properties
  Accessible surface: 696.106  Positive charged surface: 506.643  Negative charged surface: 189.463  Volume: 414.5
  Hydrophobic surface: 620.547  Hydrophilic surface: 75.559
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.