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PUBCHEM-ZINC04307819

 MMsINC code: MMs03112859
Type: Neutral
Formula: C19H26N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCc2ccccc2)C(=O)NC1(CCC(C)C)C
InChI:   InChI=1/C19H26N4O4/c1-13(2)9-10-19(3)16(25)23(18(27)22-19)12-15(24)21-17(26)20-11-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,22,27)(H2,20,21,24,26)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.6622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.441 g/mol  logS: -4.60534  SlogP: 2.0255  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0392224  Sterimol/B1: 3.22837  Sterimol/B2: 3.96755  Sterimol/B3: 4.08015
  Sterimol/B4: 6.95049  Sterimol/L: 21.1 
 
 Surface and Volume Properties
  Accessible surface: 675.159  Positive charged surface: 433.2  Negative charged surface: 241.959  Volume: 364.25
  Hydrophobic surface: 424.083  Hydrophilic surface: 251.076
 
 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.