MMsINC Database Search


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MMsINC code: MMs02431893

Type: Neutral
Formula: C₆H₁₁FO₅

SMILES:

FC1C(O)C(OCC1O)(O)CO

InChI:

InChI=1/C6H11FO5/c7-4-3(9)1-12-6(11,2-8)5(4)10/h3-5,8-11H,1-2H2/t3-,4+,5-,6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1442 kcal/mol

Physical Properties
Molecular Weight: 182.147 g/mol	logS: 0.54849	SlogP: -1.8227	Reactive groups: 0

Topological Properties
Globularity: 0.298246	Sterimol/B1: 2.16486	Sterimol/B2: 3.0561	Sterimol/B3: 3.94155
Sterimol/B4: 5.40922	Sterimol/L: 9.67323

Surface and Volume Properties
Accessible surface: 330.331	Positive charged surface: 252.347	Negative charged surface: 77.9843	Volume: 145
Hydrophobic surface: 137.204	Hydrophilic surface: 193.127

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

MMs02431894
NCID-ZINC05046417