MMsINC Database Search


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MMsINC code: MMs00059058

Type: Neutral
Formula: C₆H₁₁FO₅

SMILES:

FCC1OC(O)C(O)C(O)C1O

InChI:

InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/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)=54.6175 kcal/mol

Physical Properties
Molecular Weight: 182.147 g/mol	logS: 0.72372	SlogP: -2.2442	Reactive groups: 1

Topological Properties
Globularity: 0.183699	Sterimol/B1: 2.98281	Sterimol/B2: 3.14898	Sterimol/B3: 4.11787
Sterimol/B4: 4.64084	Sterimol/L: 9.51873

Surface and Volume Properties
Accessible surface: 336.316	Positive charged surface: 228.775	Negative charged surface: 107.542	Volume: 144.5
Hydrophobic surface: 117.527	Hydrophilic surface: 218.789

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

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Ions/Tautomers related molecules: no related molecules available.