MMsINC Database Search


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MMsINC code: MMs03405251

Type: Neutral
Formula: C₆H₁₀F₂O₄

SMILES:

FC1C(O)C(O)C(OC1F)CO

InChI:

InChI=1/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,1H2/t2-,3-,4+,5+,6+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.1417 kcal/mol

Physical Properties
Molecular Weight: 184.138 g/mol	logS: 0.19749	SlogP: -0.4272	Reactive groups: 0

Topological Properties
Globularity: 0.241977	Sterimol/B1: 3.1656	Sterimol/B2: 3.44976	Sterimol/B3: 3.67766
Sterimol/B4: 3.8572	Sterimol/L: 10.0664

Surface and Volume Properties
Accessible surface: 328.937	Positive charged surface: 224.199	Negative charged surface: 104.739	Volume: 141.75
Hydrophobic surface: 121.734	Hydrophilic surface: 207.203

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.