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PUBCHEM-ZINC05840798

 MMsINC code: MMs03410673
Type: Neutral
Formula: C9H21NO6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)NC1CCCCCCC1
InChI:   InChI=1/C9H21NO6P2/c11-17(12,13)9(18(14,15)16)10-8-6-4-2-1-3-5-7-8/h8-10H,1-7H2,(H2,11,12,13)(H2,14,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.7809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.216 g/mol  logS: 0.04349  SlogP: -0.8125  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187451  Sterimol/B1: 2.37026  Sterimol/B2: 3.76022  Sterimol/B3: 5.09658
  Sterimol/B4: 5.18694  Sterimol/L: 11.517 
 
 Surface and Volume Properties
  Accessible surface: 459.017  Positive charged surface: 274.984  Negative charged surface: 184.033  Volume: 248.25
  Hydrophobic surface: 236.958  Hydrophilic surface: 222.059
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  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.