MMsINC Database Search


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MMsINC code: MMs02813756

Type: Ionized
Formula: C₆H₁₀O₉P-3

SMILES:

P(OCC1OC(O)(CO)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/h3-5,7-8,10H,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)=46.8313 kcal/mol

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

Topological Properties
Globularity: 0.172685	Sterimol/B1: 2.46167	Sterimol/B2: 4.0181	Sterimol/B3: 4.0377
Sterimol/B4: 4.21083	Sterimol/L: 11.7001

Surface and Volume Properties
Accessible surface: 395.465	Positive charged surface: 176.287	Negative charged surface: 219.177	Volume: 180.5
Hydrophobic surface: 121.893	Hydrophilic surface: 273.572

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:

MMs02813755
PUBCHEM-ZINC01532847