MMsINC Database Search


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MMsINC code: MMs03131718

Type: Neutral
Formula: C₆H₁₁FO₅

SMILES:

FC1OC(CO)C(O)C(O)C1O

InChI:

InChI=1/C6H11FO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1H2/t2-,3+,4+,5+,6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3035 kcal/mol

Physical Properties
Molecular Weight: 182.147 g/mol	logS: 0.72372	SlogP: -1.8243	Reactive groups: 0

Topological Properties
Globularity: 0.223777	Sterimol/B1: 3.07061	Sterimol/B2: 3.29133	Sterimol/B3: 3.37188
Sterimol/B4: 4.60688	Sterimol/L: 9.9909

Surface and Volume Properties
Accessible surface: 336.196	Positive charged surface: 242.372	Negative charged surface: 93.824	Volume: 145
Hydrophobic surface: 121.221	Hydrophilic surface: 214.975

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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.