MMsINC Database Search


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MMsINC code: MMs00059060

Type: Neutral
Formula: C₆H₁₁FO₅

SMILES:

FC1C(O)C(OC(O)C1O)CO

InChI:

InChI=1/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/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)=48.477 kcal/mol

Physical Properties
Molecular Weight: 182.147 g/mol	logS: 0.72372	SlogP: -1.8243	Reactive groups: 0

Topological Properties
Globularity: 0.163471	Sterimol/B1: 2.73067	Sterimol/B2: 3.27223	Sterimol/B3: 3.55046
Sterimol/B4: 4.56533	Sterimol/L: 10.2921

Surface and Volume Properties
Accessible surface: 339.964	Positive charged surface: 237.344	Negative charged surface: 102.62	Volume: 145.375
Hydrophobic surface: 114.271	Hydrophilic surface: 225.693

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.