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NCID-ZINC01610753

 MMsINC code: MMs02261591
Type: Neutral
Formula: C10H16O4P2
SMILES:   P(OC)(OC)c1ccccc1P(OC)OC
InChI:   InChI=1/C10H16O4P2/c1-11-15(12-2)9-7-5-6-8-10(9)16(13-3)14-4/h5-8H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.3815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.182 g/mol  logS: -1.78456  SlogP: 2.1466  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.168412  Sterimol/B1: 1.97136  Sterimol/B2: 3.24027  Sterimol/B3: 4.67804
  Sterimol/B4: 8.21001  Sterimol/L: 13.0952 
 
 Surface and Volume Properties
  Accessible surface: 474.313  Positive charged surface: 401.355  Negative charged surface: 72.9576  Volume: 242.875
  Hydrophobic surface: 460.237  Hydrophilic surface: 14.076
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.