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CHEMBRIDGE-ZINC00669720

 MMsINC code: MMs00638893
Type: Neutral
Formula: C24H30N2O4
SMILES:   O(CC)c1ccccc1C(=O)N1CC(N(CC1C)C(=O)c1ccccc1OCC)C
InChI:   InChI=1/C24H30N2O4/c1-5-29-21-13-9-7-11-19(21)23(27)25-15-18(4)26(16-17(25)3)24(28)20-12-8-10-14-22(20)30-6-2/h7-14,17-18H,5-6,15-16H2,1-4H3/t17-,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=173.362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.514 g/mol  logS: -4.81794  SlogP: 3.8592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0784268  Sterimol/B1: 3.10058  Sterimol/B2: 4.35365  Sterimol/B3: 4.64626
  Sterimol/B4: 8.44349  Sterimol/L: 17.1265 
 
 Surface and Volume Properties
  Accessible surface: 708.536  Positive charged surface: 477.7  Negative charged surface: 230.836  Volume: 409.125
  Hydrophobic surface: 584.899  Hydrophilic surface: 123.637
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.