MMsINC Database Search


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MMsINC code: MMs03921875

Type: Neutral
Formula: C₆H₁₃FO₅

SMILES:

FC(C(O)C(O)CO)C(O)CO

InChI:

InChI=1/C6H13FO5/c7-5(3(10)1-8)6(12)4(11)2-9/h3-6,8-12H,1-2H2/t3-,4+,5-,6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.7361 kcal/mol

Physical Properties
Molecular Weight: 184.163 g/mol	logS: 1.09847	SlogP: -2.1883	Reactive groups: 0

Topological Properties
Globularity: 0.0982761	Sterimol/B1: 3.06362	Sterimol/B2: 3.1874	Sterimol/B3: 3.20912
Sterimol/B4: 3.65831	Sterimol/L: 12.8294

Surface and Volume Properties
Accessible surface: 358.807	Positive charged surface: 256.254	Negative charged surface: 102.553	Volume: 155
Hydrophobic surface: 131.344	Hydrophilic surface: 227.463

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.