MMsINC Database Search


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MMsINC code: MMs03078775

Type: Ionized
Formula: C₆H₁₁O₈P-2

SMILES:

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

InChI:

InChI=1/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/p-2/t2-,3-,4+,5+,6+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.5567 kcal/mol

Physical Properties
Molecular Weight: 242.12 g/mol	logS: 0.78958	SlogP: -4.411	Reactive groups: 0

Topological Properties
Globularity: 0.155936	Sterimol/B1: 2.5154	Sterimol/B2: 2.89458	Sterimol/B3: 3.4423
Sterimol/B4: 6.49147	Sterimol/L: 11.2561

Surface and Volume Properties
Accessible surface: 384.727	Positive charged surface: 189.402	Negative charged surface: 195.325	Volume: 174.375
Hydrophobic surface: 117.718	Hydrophilic surface: 267.009

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 3	Basic groups: 0
Chiral centers: 5

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:

MMs03078774
PUBCHEM-ZINC03869673