MMsINC Database Search


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MMsINC code: MMs03405234

Type: Neutral
Formula: C₆H₁₀F₂O₅

SMILES:

FC1(F)C(O)C(O)C(OC1O)CO

InChI:

InChI=1/C6H10F2O5/c7-6(8)4(11)3(10)2(1-9)13-5(6)12/h2-5,9-12H,1H2/t2-,3+,4-,5+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.5484 kcal/mol

Physical Properties
Molecular Weight: 200.137 g/mol	logS: 0.34407	SlogP: -1.5271	Reactive groups: 0

Topological Properties
Globularity: 0.259692	Sterimol/B1: 3.41908	Sterimol/B2: 3.4592	Sterimol/B3: 3.93523
Sterimol/B4: 4.28464	Sterimol/L: 10.0481

Surface and Volume Properties
Accessible surface: 337.751	Positive charged surface: 225.643	Negative charged surface: 112.108	Volume: 147.125
Hydrophobic surface: 104.931	Hydrophilic surface: 232.82

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs03405235
PUBCHEM-ZINC05830410