MMsINC Database Search


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

MMsINC code: MMs00016588

Type: Neutral
Formula: C₆H₁₃O₉P

SMILES:

P(OC1OC(CO)C(O)C(O)C1O)(O)(O)=O

InChI:

InChI=1/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-20.788 kcal/mol

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

Topological Properties
Globularity: 0.180373	Sterimol/B1: 3.17846	Sterimol/B2: 3.20396	Sterimol/B3: 3.28256
Sterimol/B4: 7.08716	Sterimol/L: 10.887

Surface and Volume Properties
Accessible surface: 412.841	Positive charged surface: 272.565	Negative charged surface: 140.276	Volume: 189.75
Hydrophobic surface: 106.141	Hydrophilic surface: 306.7

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

MMs00016589
ACROSORGANICS-ZINC04096092