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ENAMINE-ZINC03336239

 MMsINC code: MMs01379976
Type: Neutral
Formula: C18H22N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC(C)C)C(=O)NC12CCc1c(C2)cccc1
InChI:   InChI=1/C18H22N4O4/c1-11(2)19-16(25)20-14(23)10-22-15(24)18(21-17(22)26)8-7-12-5-3-4-6-13(12)9-18/h3-6,11H,7-10H2,1-2H3,(H,21,26)(H2,19,20,23,25)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.1639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.398 g/mol  logS: -3.30502  SlogP: 0.70004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0398095  Sterimol/B1: 3.00418  Sterimol/B2: 3.92499  Sterimol/B3: 4.97429
  Sterimol/B4: 5.65432  Sterimol/L: 19.0571 
 
 Surface and Volume Properties
  Accessible surface: 617.685  Positive charged surface: 395.44  Negative charged surface: 222.245  Volume: 330.125
  Hydrophobic surface: 396.397  Hydrophilic surface: 221.288
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.