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AURORAFEINCHEMIE-ZINC02391262

 MMsINC code: MMs00452898
Type: Neutral
Formula: C17H28NO3P
SMILES:   P(O)(=O)(CC(=O)N(CCCC)CCCC)c1ccc(cc1)C
InChI:   InChI=1/C17H28NO3P/c1-4-6-12-18(13-7-5-2)17(19)14-22(20,21)16-10-8-15(3)9-11-16/h8-11H,4-7,12-14H2,1-3H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.5589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.389 g/mol  logS: -3.4644  SlogP: 2.24932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0755929  Sterimol/B1: 2.38141  Sterimol/B2: 2.49881  Sterimol/B3: 4.86386
  Sterimol/B4: 9.91632  Sterimol/L: 17.3732 
 
 Surface and Volume Properties
  Accessible surface: 621.995  Positive charged surface: 401.534  Negative charged surface: 220.461  Volume: 334.25
  Hydrophobic surface: 494.446  Hydrophilic surface: 127.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.