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IBS-ZINC02274478

 MMsINC code: MMs01821281
Type: Neutral
Formula: C23H24N2O4S
SMILES:   S(=O)(=O)(NNC(=O)C(O)(c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C23H24N2O4S/c1-16-4-10-19(11-5-16)23(27,20-12-6-17(2)7-13-20)22(26)24-25-30(28,29)21-14-8-18(3)9-15-21/h4-15,25,27H,1-3H3,(H,24,26)

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Potential Energy
Epot(MMFF94)=150.678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.521 g/mol  logS: -6.54501  SlogP: 3.16896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129666  Sterimol/B1: 1.98456  Sterimol/B2: 4.41492  Sterimol/B3: 4.82721
  Sterimol/B4: 9.80587  Sterimol/L: 18.1707 
 
 Surface and Volume Properties
  Accessible surface: 696.114  Positive charged surface: 383.959  Negative charged surface: 312.155  Volume: 397.5
  Hydrophobic surface: 566.655  Hydrophilic surface: 129.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.