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NIH-ZINC03100200

 MMsINC code: MMs02525741
Type: Neutral
Formula: C24H24N2O7
SMILES:   O(c1cc2c(cc1)C(=O)N(CCCCO)C2=O)c1cc2c(cc1)C(=O)N(CCCCO)C2=O
InChI:   InChI=1/C24H24N2O7/c27-11-3-1-9-25-21(29)17-7-5-15(13-19(17)23(25)31)33-16-6-8-18-20(14-16)24(32)26(22(18)30)10-2-4-12-28/h5-8,13-14,27-28H,1-4,9-12H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.4791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.463 g/mol  logS: -4.66929  SlogP: 2.2159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0512332  Sterimol/B1: 2.97792  Sterimol/B2: 3.73833  Sterimol/B3: 5.65955
  Sterimol/B4: 8.34088  Sterimol/L: 22.7937 
 
 Surface and Volume Properties
  Accessible surface: 764.618  Positive charged surface: 503.9  Negative charged surface: 260.717  Volume: 411.75
  Hydrophobic surface: 502.311  Hydrophilic surface: 262.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.