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ENAMINE-ZINC05797956

 MMsINC code: MMs01640276
Type: Neutral
Formula: C18H24N4O5
SMILES:   O(C)c1ccc(cc1)C1(NC(=O)N(CC(=O)NC(=O)NCCC)C1=O)CC
InChI:   InChI=1/C18H24N4O5/c1-4-10-19-16(25)20-14(23)11-22-15(24)18(5-2,21-17(22)26)12-6-8-13(27-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(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)=35.7988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.413 g/mol  logS: -3.31183  SlogP: 1.3996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0515661  Sterimol/B1: 3.02652  Sterimol/B2: 3.49275  Sterimol/B3: 5.28648
  Sterimol/B4: 5.64542  Sterimol/L: 22.0049 
 
 Surface and Volume Properties
  Accessible surface: 646.319  Positive charged surface: 450.657  Negative charged surface: 195.661  Volume: 349.125
  Hydrophobic surface: 422.309  Hydrophilic surface: 224.01
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.