MMsINC Database Search


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

MMsINC code: MMs03079359

Type: Ionized
Formula: C₅H₉O₈P-2

SMILES:

P(OC1OC(CO)C(O)C1O)(=O)([O-])[O-]

InChI:

InChI=1/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/p-2/t2-,3-,4+,5+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-3.76999 kcal/mol

Physical Properties
Molecular Weight: 228.093 g/mol	logS: 1.11679	SlogP: -4.7995	Reactive groups: 0

Topological Properties
Globularity: 0.216104	Sterimol/B1: 2.82831	Sterimol/B2: 2.98836	Sterimol/B3: 3.81777
Sterimol/B4: 5.17734	Sterimol/L: 9.83974

Surface and Volume Properties
Accessible surface: 357.69	Positive charged surface: 176.486	Negative charged surface: 181.203	Volume: 154.875
Hydrophobic surface: 108.005	Hydrophilic surface: 249.685

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

Parent related molecule:

MMs03079358
PUBCHEM-ZINC03870208