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CHEMDIV-ZINC04034750

 MMsINC code: MMs00923349
Type: Neutral
Formula: C24H36N2O5
SMILES:   O(CC)c1ccc(cc1OC)C1N(CCCOCC)C(=O)CN(C1=O)C1CCCCC1
InChI:   InChI=1/C24H36N2O5/c1-4-30-15-9-14-25-22(27)17-26(19-10-7-6-8-11-19)24(28)23(25)18-12-13-20(31-5-2)21(16-18)29-3/h12-13,16,19,23H,4-11,14-15,17H2,1-3H3/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.561 g/mol  logS: -4.21117  SlogP: 3.6606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182186  Sterimol/B1: 5.3763  Sterimol/B2: 5.38823  Sterimol/B3: 7.33862
  Sterimol/B4: 8.75226  Sterimol/L: 17.1793 
 
 Surface and Volume Properties
  Accessible surface: 775.55  Positive charged surface: 612.673  Negative charged surface: 162.876  Volume: 435.375
  Hydrophobic surface: 659.277  Hydrophilic surface: 116.273
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.