MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00049441

Type: Neutral
Formula: C₆H₁₁FO₅

SMILES:

FC1C(O)C(O)C(O)C(O)C1O

InChI:

InChI=1/C6H11FO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H/t1-,2-,3-,4+,5-,6+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.247 kcal/mol

Physical Properties
Molecular Weight: 182.147 g/mol	logS: 0.94963	SlogP: -2.4375	Reactive groups: 0

Topological Properties
Globularity: 0.309256	Sterimol/B1: 2.47688	Sterimol/B2: 3.19939	Sterimol/B3: 3.21046
Sterimol/B4: 5.51199	Sterimol/L: 9.18417

Surface and Volume Properties
Accessible surface: 322.693	Positive charged surface: 228.184	Negative charged surface: 94.5084	Volume: 143.625
Hydrophobic surface: 91.1678	Hydrophilic surface: 231.5252

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

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:

Ions/Tautomers related molecules: no related molecules available.