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PUBCHEM-ZINC05386357

 MMsINC code: MMs03254968
Type: Neutral
Formula: C15H26N3O7P
SMILES:   P(OCC)(OCC)(=O)c1ncn(c1N)C1OC(C2OC(OC12)(C)C)CO
InChI:   InChI=1/C15H26N3O7P/c1-5-21-26(20,22-6-2)13-12(16)18(8-17-13)14-11-10(9(7-19)23-14)24-15(3,4)25-11/h8-11,14,19H,5-7,16H2,1-4H3/t9-,10+,11+,14+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.361 g/mol  logS: -2.04546  SlogP: -0.2082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0841367  Sterimol/B1: 2.34568  Sterimol/B2: 3.43438  Sterimol/B3: 5.75617
  Sterimol/B4: 7.28028  Sterimol/L: 15.9397 
 
 Surface and Volume Properties
  Accessible surface: 652.484  Positive charged surface: 465.469  Negative charged surface: 187.015  Volume: 347.5
  Hydrophobic surface: 410.894  Hydrophilic surface: 241.59
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.