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ENAMINE-ZINC06875712

 MMsINC code: MMs01708004
Type: Neutral
Formula: C24H30N2O4
SMILES:   O1CCN(CC1)C(=O)c1cc2c(cc1OCC(=O)N1C(CCCC1C)C)cccc2
InChI:   InChI=1/C24H30N2O4/c1-17-6-5-7-18(2)26(17)23(27)16-30-22-15-20-9-4-3-8-19(20)14-21(22)24(28)25-10-12-29-13-11-25/h3-4,8-9,14-15,17-18H,5-7,10-13,16H2,1-2H3/t17-,18+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=236.844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.514 g/mol  logS: -5.11991  SlogP: 3.4805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0673476  Sterimol/B1: 2.71832  Sterimol/B2: 4.49629  Sterimol/B3: 5.1461
  Sterimol/B4: 9.83187  Sterimol/L: 15.5916 
 
 Surface and Volume Properties
  Accessible surface: 683.287  Positive charged surface: 486.182  Negative charged surface: 186.338  Volume: 398.875
  Hydrophobic surface: 592.62  Hydrophilic surface: 90.667
 
 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.