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ENAMINE-ZINC04477161

 MMsINC code: MMs01540374
Type: Neutral
Formula: C18H24N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC(C)(C)C)C(=O)NC1(CC)c1ccccc1
InChI:   InChI=1/C18H24N4O4/c1-5-18(12-9-7-6-8-10-12)14(24)22(16(26)21-18)11-13(23)19-15(25)20-17(2,3)4/h6-10H,5,11H2,1-4H3,(H,21,26)(H2,19,20,23,25)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.7921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.414 g/mol  logS: -3.7141  SlogP: 1.7795  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607691  Sterimol/B1: 2.57015  Sterimol/B2: 3.70077  Sterimol/B3: 4.47644
  Sterimol/B4: 6.55476  Sterimol/L: 18.8405 
 
 Surface and Volume Properties
  Accessible surface: 615.263  Positive charged surface: 388.3  Negative charged surface: 226.963  Volume: 341.375
  Hydrophobic surface: 390.358  Hydrophilic surface: 224.905
 
 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.