MMsINC Database Search


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MMsINC code: MMs01771376

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-17.1187 kcal/mol

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

Topological Properties
Globularity: 0.188237	Sterimol/B1: 2.90915	Sterimol/B2: 3.31284	Sterimol/B3: 3.8739
Sterimol/B4: 6.79208	Sterimol/L: 10.2988

Surface and Volume Properties
Accessible surface: 418.852	Positive charged surface: 275.819	Negative charged surface: 143.033	Volume: 188.875
Hydrophobic surface: 104.644	Hydrophilic surface: 314.208

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

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Ions/Tautomers related molecules

MMs01771377
IBS-ZINC01532537