MMsINC Database Search


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MMsINC code: MMs03416980

Type: Neutral
Formula: C₅H₉FO₄

SMILES:

FC1C(O)C(O)COC1O

InChI:

InChI=1/C5H9FO4/c6-3-4(8)2(7)1-10-5(3)9/h2-5,7-9H,1H2/t2-,3-,4+,5+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.6998 kcal/mol

Physical Properties
Molecular Weight: 152.121 g/mol	logS: 0.52118	SlogP: -1.1852	Reactive groups: 0

Topological Properties
Globularity: 0.261635	Sterimol/B1: 2.21097	Sterimol/B2: 2.82934	Sterimol/B3: 3.00572
Sterimol/B4: 5.74692	Sterimol/L: 8.43959

Surface and Volume Properties
Accessible surface: 296.957	Positive charged surface: 205.299	Negative charged surface: 91.6579	Volume: 121.25
Hydrophobic surface: 110.78	Hydrophilic surface: 186.177

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