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ENAMINE-ZINC03222937

 MMsINC code: MMs01314520
Type: Neutral
Formula: C24H25N3O4
SMILES:   O(C)c1cc(ccc1OC)-c1nc2c(cccc2)c(c1)C(=O)N1CCC(CC1)C(=O)N
InChI:   InChI=1/C24H25N3O4/c1-30-21-8-7-16(13-22(21)31-2)20-14-18(17-5-3-4-6-19(17)26-20)24(29)27-11-9-15(10-12-27)23(25)28/h3-8,13-15H,9-12H2,1-2H3,(H2,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.481 g/mol  logS: -5.09692  SlogP: 3.2565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105242  Sterimol/B1: 2.05076  Sterimol/B2: 3.6771  Sterimol/B3: 5.20621
  Sterimol/B4: 11.5684  Sterimol/L: 16.8651 
 
 Surface and Volume Properties
  Accessible surface: 706.959  Positive charged surface: 489.832  Negative charged surface: 206.04  Volume: 398.625
  Hydrophobic surface: 543.534  Hydrophilic surface: 163.425
 
 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.