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AURORAFEINCHEMIE-ZINC03957834

 MMsINC code: MMs00459167
Type: Neutral
Formula: C10H25NO6P2
SMILES:   P(OCC)(OCC)(=O)N=P(OCC)(OCC)OCC
InChI:   InChI=1/C10H25NO6P2/c1-6-13-18(12,14-7-2)11-19(15-8-3,16-9-4)17-10-5/h6-10H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-51.2927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.259 g/mol  logS: -1.65817  SlogP: 3.2581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.74714  Sterimol/B1: 2.52051  Sterimol/B2: 3.89757  Sterimol/B3: 7.53923
  Sterimol/B4: 9.58829  Sterimol/L: 12.8002 
 
 Surface and Volume Properties
  Accessible surface: 563  Positive charged surface: 405.587  Negative charged surface: 157.413  Volume: 293.25
  Hydrophobic surface: 399.563  Hydrophilic surface: 163.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 2  Basic groups: 2
  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.