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MMsINC code: MMs03504477

Type: Ionized
Formula: C₅H₉O₇P-2

SMILES:

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

InChI:

InChI=1/C5H11O7P/c1-2-3(6)4(7)5(11-2)12-13(8,9)10/h2-7H,1H3,(H2,8,9,10)/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)=-8.15796 kcal/mol

Physical Properties
Molecular Weight: 212.094 g/mol	logS: 0.58704	SlogP: -3.7719	Reactive groups: 0

Topological Properties
Globularity: 0.13913	Sterimol/B1: 2.37663	Sterimol/B2: 2.76562	Sterimol/B3: 3.37294
Sterimol/B4: 4.6335	Sterimol/L: 11.1783

Surface and Volume Properties
Accessible surface: 346.31	Positive charged surface: 164.858	Negative charged surface: 181.453	Volume: 151.375
Hydrophobic surface: 119.897	Hydrophilic surface: 226.413

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

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Parent related molecule:

MMs03504476
PUBCHEM-ZINC06031845