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CHEMDIV-ZINC02066120

 MMsINC code: MMs00870243
Type: Neutral
Formula: C25H36N2O4S2
SMILES:   S(=O)(=O)(N(CCC)CCC)c1cc2Cc3cc(S(=O)(=O)N(CCC)CCC)ccc3-c2cc1
InChI:   InChI=1/C25H36N2O4S2/c1-5-13-26(14-6-2)32(28,29)22-9-11-24-20(18-22)17-21-19-23(10-12-25(21)24)33(30,31)27(15-7-3)16-8-4/h9-12,18-19H,5-8,13-17H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.6962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.705 g/mol  logS: -6.22518  SlogP: 4.87917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.040911  Sterimol/B1: 2.0525  Sterimol/B2: 3.60783  Sterimol/B3: 5.59742
  Sterimol/B4: 9.15998  Sterimol/L: 21.3214 
 
 Surface and Volume Properties
  Accessible surface: 796.485  Positive charged surface: 502.547  Negative charged surface: 281.671  Volume: 476.5
  Hydrophobic surface: 604.998  Hydrophilic surface: 191.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.