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MMsINC code: MMs03127829

Type: Ionized
Formula: C₇H₁₅O₇P-2

SMILES:

P(OCC(O)C(OCC)OCC)(=O)([O-])[O-]

InChI:

InChI=1/C7H17O7P/c1-3-12-7(13-4-2)6(8)5-14-15(9,10)11/h6-8H,3-5H2,1-2H3,(H2,9,10,11)/p-2/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-4.6854 kcal/mol

Physical Properties
Molecular Weight: 242.164 g/mol	logS: 0.06349	SlogP: -2.4785	Reactive groups: 0

Topological Properties
Globularity: 0.0795685	Sterimol/B1: 2.29958	Sterimol/B2: 2.60515	Sterimol/B3: 3.19016
Sterimol/B4: 7.99472	Sterimol/L: 13.2495

Surface and Volume Properties
Accessible surface: 438.934	Positive charged surface: 248.169	Negative charged surface: 190.765	Volume: 201
Hydrophobic surface: 231.866	Hydrophilic surface: 207.068

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 3	Basic groups: 0
Chiral centers: 1

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:

MMs03127828
PUBCHEM-ZINC04521532