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NCID-ZINC05940464

 MMsINC code: MMs02512216
Type: Neutral
Formula: C19H28F2NO7P
SMILES:   P(OCC)(OCC)(=O)C(F)(F)c1ccc(cc1)CC(NC(OC(C)(C)C)=O)C(O)=O
InChI:   InChI=1/C19H28F2NO7P/c1-6-27-30(26,28-7-2)19(20,21)14-10-8-13(9-11-14)12-15(16(23)24)22-17(25)29-18(3,4)5/h8-11,15H,6-7,12H2,1-5H3,(H,22,25)(H,23,24)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.2952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 451.403 g/mol  logS: -4.05489  SlogP: 3.76367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112333  Sterimol/B1: 2.06811  Sterimol/B2: 3.14736  Sterimol/B3: 7.33517
  Sterimol/B4: 8.35049  Sterimol/L: 17.7008 
 
 Surface and Volume Properties
  Accessible surface: 731.964  Positive charged surface: 446.452  Negative charged surface: 285.512  Volume: 400.375
  Hydrophobic surface: 435.657  Hydrophilic surface: 296.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02512217
NCID-ZINC05940464