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PUBCHEM-ZINC01638797

 MMsINC code: MMs02817308
Type: Neutral
Formula: C16H24F2NO5P
SMILES:   P(OCC)(OCC)(=O)C(F)(F)Cc1c2c(OC(OC2)(C)C)c(nc1)C
InChI:   InChI=1/C16H24F2NO5P/c1-6-22-25(20,23-7-2)16(17,18)8-12-9-19-11(3)14-13(12)10-21-15(4,5)24-14/h9H,6-8,10H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.3429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.34 g/mol  logS: -2.93552  SlogP: 4.05259  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628976  Sterimol/B1: 2.12611  Sterimol/B2: 2.46807  Sterimol/B3: 5.14087
  Sterimol/B4: 8.49105  Sterimol/L: 15.7656 
 
 Surface and Volume Properties
  Accessible surface: 627.817  Positive charged surface: 417.34  Negative charged surface: 210.477  Volume: 333.125
  Hydrophobic surface: 440.375  Hydrophilic surface: 187.442
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.