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ASINEX-ZINC02594531

 MMsINC code: MMs00275565
Type: Neutral
Formula: C15H25N5O4
SMILES:   O=C1NC(=O)N(c2nc(n(c12)CCOCC)NCCCOCC)C
InChI:   InChI=1/C15H25N5O4/c1-4-23-9-6-7-16-14-17-12-11(20(14)8-10-24-5-2)13(21)18-15(22)19(12)3/h4-10H2,1-3H3,(H,16,17)(H,18,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-21.4182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.396 g/mol  logS: -2.33399  SlogP: 1.3241  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0363183  Sterimol/B1: 2.93669  Sterimol/B2: 3.17859  Sterimol/B3: 6.90349
  Sterimol/B4: 7.75802  Sterimol/L: 17.2594 
 
 Surface and Volume Properties
  Accessible surface: 659.854  Positive charged surface: 528.977  Negative charged surface: 130.877  Volume: 326.5
  Hydrophobic surface: 447.545  Hydrophilic surface: 212.309
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.