MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03660010

Type: Neutral
Formula: C₆H₁₃O₉P

SMILES:

P(OC1C(O)C(OC(O)C1O)CO)(O)(O)=O

InChI:

InChI=1/C6H13O9P/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4-,5-,6+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-7.66652 kcal/mol

Physical Properties
Molecular Weight: 260.135 g/mol	logS: 1.46237	SlogP: -4.1746	Reactive groups: 0

Topological Properties
Globularity: 0.274463	Sterimol/B1: 3.23614	Sterimol/B2: 3.61458	Sterimol/B3: 4.09212
Sterimol/B4: 5.69803	Sterimol/L: 11.412

Surface and Volume Properties
Accessible surface: 415.115	Positive charged surface: 278.497	Negative charged surface: 136.618	Volume: 190.25
Hydrophobic surface: 100.77	Hydrophilic surface: 314.345

Pharmacophoric Properties
Hydrogen bond donors: 7	Hydrogen bond acceptors: 9	Acid groups: 0	Basic groups: 0
Chiral centers: 5

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules

MMs03660011
PUBCHEM-ZINC06292564