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PUBCHEM-ZINC05835319

 MMsINC code: MMs03407713
Type: Neutral
Formula: C14H24N5O4P
SMILES:   P(OC(C)C)(OC(C)C)(=O)COCCn1c2ncnc(N)c2nc1
InChI:   InChI=1/C14H24N5O4P/c1-10(2)22-24(20,23-11(3)4)9-21-6-5-19-8-18-12-13(15)16-7-17-14(12)19/h7-8,10-11H,5-6,9H2,1-4H3,(H2,15,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.7135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.351 g/mol  logS: -2.57591  SlogP: 1.6219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101975  Sterimol/B1: 2.45759  Sterimol/B2: 3.15776  Sterimol/B3: 4.70735
  Sterimol/B4: 7.38313  Sterimol/L: 16.8815 
 
 Surface and Volume Properties
  Accessible surface: 605.795  Positive charged surface: 450.207  Negative charged surface: 155.588  Volume: 332.125
  Hydrophobic surface: 341.085  Hydrophilic surface: 264.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  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.