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NANOSIN-ZINC01994854

 MMsINC code: MMs02201176
Type: Neutral
Formula: C24H26N2O3
SMILES:   O(CCCCCC)c1ccc(cc1)C(=O)N\N=C\c1c2c(ccc1O)cccc2
InChI:   InChI=1/C24H26N2O3/c1-2-3-4-7-16-29-20-13-10-19(11-14-20)24(28)26-25-17-22-21-9-6-5-8-18(21)12-15-23(22)27/h5-6,8-15,17,27H,2-4,7,16H2,1H3,(H,26,28)/b25-17+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.483 g/mol  logS: -7.1791  SlogP: 5.2684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0043466  Sterimol/B1: 2.37856  Sterimol/B2: 2.41624  Sterimol/B3: 4.07605
  Sterimol/B4: 7.58742  Sterimol/L: 23.8472 
 
 Surface and Volume Properties
  Accessible surface: 734.299  Positive charged surface: 465.183  Negative charged surface: 258.045  Volume: 396.125
  Hydrophobic surface: 602.131  Hydrophilic surface: 132.168
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.