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CHEMBRIDGE-ZINC02285646

 MMsINC code: MMs00706146
Type: Neutral
Formula: C14H24NO4P
SMILES:   P(OCC(C)C)(OCC(C)C)(=O)C(O)c1cccnc1
InChI:   InChI=1/C14H24NO4P/c1-11(2)9-18-20(17,19-10-12(3)4)14(16)13-6-5-7-15-8-13/h5-8,11-12,14,16H,9-10H2,1-4H3/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.0687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.323 g/mol  logS: -1.26083  SlogP: 2.6361  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136291  Sterimol/B1: 2.47044  Sterimol/B2: 2.57933  Sterimol/B3: 4.52924
  Sterimol/B4: 9.13229  Sterimol/L: 15.0976 
 
 Surface and Volume Properties
  Accessible surface: 556.205  Positive charged surface: 389.985  Negative charged surface: 166.22  Volume: 294.375
  Hydrophobic surface: 398.709  Hydrophilic surface: 157.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.