MMsINC Database Search


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MMsINC code: MMs03089878

Type: Ionized
Formula: C₆H₁₀O₁₀P-3

SMILES:

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

InChI:

InChI=1/C6H13O10P/c7-1-3(8)4(9)6(12,5(10)11)2-16-17(13,14)15/h3-4,7-9,12H,1-2H2,(H,10,11)(H2,13,14,15)/p-3/t3-,4+,6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.1389 kcal/mol

Physical Properties
Molecular Weight: 273.11 g/mol	logS: 1.23525	SlogP: -7.0434	Reactive groups: 0

Topological Properties
Globularity: 0.174359	Sterimol/B1: 2.57259	Sterimol/B2: 3.55479	Sterimol/B3: 3.5591
Sterimol/B4: 5.01902	Sterimol/L: 12.9412

Surface and Volume Properties
Accessible surface: 390.483	Positive charged surface: 160.322	Negative charged surface: 230.161	Volume: 186.5
Hydrophobic surface: 103.114	Hydrophilic surface: 287.369

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 5	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: 0

search links for this molecule:

Parent related molecule:

MMs03089877
PUBCHEM-ZINC04096358