MMsINC Database Search


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

MMsINC code: MMs02813758

Type: Ionized
Formula: C₆H₁₀O₉P-3

SMILES:

P(OCC1OC(O)(C[O-])C(O)C1O)(=O)([O-])[O-]

InChI:

InChI=1/C6H12O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,8-10H,1-2H2,(H2,11,12,13)/q-1/p-2/t3-,4+,5+,6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.3779 kcal/mol

Physical Properties
Molecular Weight: 257.111 g/mol	logS: 1.07258	SlogP: -4.9988	Reactive groups: 0

Topological Properties
Globularity: 0.146028	Sterimol/B1: 2.51837	Sterimol/B2: 3.72438	Sterimol/B3: 3.8135
Sterimol/B4: 4.17938	Sterimol/L: 12.79

Surface and Volume Properties
Accessible surface: 388.483	Positive charged surface: 163.933	Negative charged surface: 224.551	Volume: 180.875
Hydrophobic surface: 111.496	Hydrophilic surface: 276.987

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 4	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: 0

search links for this molecule:

Parent related molecule:

MMs02813757
PUBCHEM-ZINC01532848