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CHEMBRIDGE-ZINC02814560

 MMsINC code: MMs00717793
Type: Neutral
Formula: C24H28N2O5
SMILES:   O(CC)c1cc(ccc1OCC)CCNC(=O)CCCN1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C24H28N2O5/c1-3-30-20-12-11-17(16-21(20)31-4-2)13-14-25-22(27)10-7-15-26-23(28)18-8-5-6-9-19(18)24(26)29/h5-6,8-9,11-12,16H,3-4,7,10,13-15H2,1-2H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.5284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.497 g/mol  logS: -4.77554  SlogP: 3.21907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0571888  Sterimol/B1: 2.4945  Sterimol/B2: 2.49946  Sterimol/B3: 6.06068
  Sterimol/B4: 8.61753  Sterimol/L: 23.1653 
 
 Surface and Volume Properties
  Accessible surface: 784.672  Positive charged surface: 526.646  Negative charged surface: 258.026  Volume: 414.75
  Hydrophobic surface: 601.036  Hydrophilic surface: 183.636
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.