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PUBCHEM-ZINC05884379

 MMsINC code: MMs03428016
Type: Neutral
Formula: C10H16FN6O4P
SMILES:   P(OCC)(O)(=O)C(F)OCCn1c2nc(nc(N)c2nc1)N
InChI:   InChI=1/C10H16FN6O4P/c1-2-21-22(18,19)9(11)20-4-3-17-5-14-6-7(12)15-10(13)16-8(6)17/h5,9H,2-4H2,1H3,(H,18,19)(H4,12,13,15,16)/t9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.7266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.248 g/mol  logS: -1.6264  SlogP: 0.0984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0928816  Sterimol/B1: 2.64709  Sterimol/B2: 3.8984  Sterimol/B3: 4.54366
  Sterimol/B4: 6.01375  Sterimol/L: 15.8199 
 
 Surface and Volume Properties
  Accessible surface: 562.09  Positive charged surface: 402.335  Negative charged surface: 159.755  Volume: 270.625
  Hydrophobic surface: 224.648  Hydrophilic surface: 337.442
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.