logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC05925046

 MMsINC code: MMs02511988
Type: Neutral
Formula: C10H21O7P
SMILES:   P(OCC)(OCC)(=O)CC1OC(CO)C(O)C1O
InChI:   InChI=1/C10H21O7P/c1-3-15-18(14,16-4-2)6-8-10(13)9(12)7(5-11)17-8/h7-13H,3-6H2,1-2H3/t7-,8+,9+,10+/m0/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=58.3584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.245 g/mol  logS: 0.05034  SlogP: -1.3362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179786  Sterimol/B1: 2.45404  Sterimol/B2: 4.26242  Sterimol/B3: 5.27905
  Sterimol/B4: 7.72895  Sterimol/L: 13.5935 
 
 Surface and Volume Properties
  Accessible surface: 531.023  Positive charged surface: 392.893  Negative charged surface: 138.13  Volume: 255.125
  Hydrophobic surface: 309.694  Hydrophilic surface: 221.329
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.