MMsINC Database Search


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MMsINC code: MMs00059130

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)=65.7557 kcal/mol

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

Topological Properties
Globularity: 0.318854	Sterimol/B1: 2.53106	Sterimol/B2: 3.24702	Sterimol/B3: 3.49146
Sterimol/B4: 4.87864	Sterimol/L: 9.22243

Surface and Volume Properties
Accessible surface: 324.139	Positive charged surface: 223.84	Negative charged surface: 100.3	Volume: 144
Hydrophobic surface: 83.6984	Hydrophilic surface: 240.4406

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

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Ions/Tautomers related molecules: no related molecules available.