MMsINC Database Search


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MMsINC code: MMs03078961

Type: Ionized
Formula: C₅H₉O₇P-2

SMILES:

P(OC1OC(CO)C(O)C1)(=O)([O-])[O-]

InChI:

InChI=1/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/p-2/t3-,4-,5-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=3.83542 kcal/mol

Physical Properties
Molecular Weight: 212.094 g/mol	logS: 0.71248	SlogP: -3.7703	Reactive groups: 0

Topological Properties
Globularity: 0.136032	Sterimol/B1: 2.58898	Sterimol/B2: 2.75973	Sterimol/B3: 3.80266
Sterimol/B4: 4.74299	Sterimol/L: 11.1281

Surface and Volume Properties
Accessible surface: 357.908	Positive charged surface: 185.064	Negative charged surface: 172.844	Volume: 152.25
Hydrophobic surface: 127.461	Hydrophilic surface: 230.447

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 3	Basic groups: 0
Chiral centers: 3

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:

MMs03078960
PUBCHEM-ZINC03869831