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ENAMINE-ZINC06508695

 MMsINC code: MMs01665110
Type: Neutral
Formula: C24H36N2O3
SMILES:   O(C)c1ccc(cc1)C1N(CCCC)C(=O)CCC1C(=O)NC1CCCCCC1
InChI:   InChI=1/C24H36N2O3/c1-3-4-17-26-22(27)16-15-21(23(26)18-11-13-20(29-2)14-12-18)24(28)25-19-9-7-5-6-8-10-19/h11-14,19,21,23H,3-10,15-17H2,1-2H3,(H,25,28)/t21-,23+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.7962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.563 g/mol  logS: -4.66754  SlogP: 4.7095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149082  Sterimol/B1: 2.302  Sterimol/B2: 3.16982  Sterimol/B3: 7.12258
  Sterimol/B4: 10.2319  Sterimol/L: 17.6067 
 
 Surface and Volume Properties
  Accessible surface: 712.366  Positive charged surface: 542.45  Negative charged surface: 169.917  Volume: 415.75
  Hydrophobic surface: 631.471  Hydrophilic surface: 80.895
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.