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ENAMINE-ZINC03065283

MMsINC code: MMs01289356

Type: Ionized
Formula: C₆H₁₂O₆P-

SMILES:

P1(OCCOCCOCCO1)(=O)[O-]

InChI:

InChI=1/C6H13O6P/c7-13(8)11-5-3-9-1-2-10-4-6-12-13/h1-6H2,(H,7,8)/p-1

Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.4273 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 211.13 g/mol	logS: -0.0264	SlogP: -1.5354	Reactive groups: 0

Topological Properties
Globularity: 0.17571	Sterimol/B1: 2.38822	Sterimol/B2: 2.58379	Sterimol/B3: 3.50918
Sterimol/B4: 7.17564	Sterimol/L: 9.87004

Surface and Volume Properties
Accessible surface: 358.061	Positive charged surface: 260.186	Negative charged surface: 97.875	Volume: 171.125
Hydrophobic surface: 251.873	Hydrophilic surface: 106.188

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

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:

MMs01289355
ENAMINE-ZINC03065283