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ENAMINE-ZINC06657842

 MMsINC code: MMs01695032
Type: Neutral
Formula: C18H24N4O4
SMILES:   O=C1N(c2c(NC1=O)cc(cc2)C(=O)N(CC(=O)NC(C)C)CC)CC
InChI:   InChI=1/C18H24N4O4/c1-5-21(10-15(23)19-11(3)4)17(25)12-7-8-14-13(9-12)20-16(24)18(26)22(14)6-2/h7-9,11H,5-6,10H2,1-4H3,(H,19,23)(H,20,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.414 g/mol  logS: -3.35346  SlogP: 0.9783  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628831  Sterimol/B1: 2.40371  Sterimol/B2: 3.48459  Sterimol/B3: 4.1846
  Sterimol/B4: 8.93164  Sterimol/L: 14.5407 
 
 Surface and Volume Properties
  Accessible surface: 604.365  Positive charged surface: 389.861  Negative charged surface: 214.504  Volume: 343.875
  Hydrophobic surface: 348.747  Hydrophilic surface: 255.618
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.