MMsINC Database Search


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MMsINC code: MMs03781956

Type: Ionized
Formula: C₅H₈FO₅-

SMILES:

FC1OC(O)C(O)C(O)C1[O-]

InChI:

InChI=1/C5H8FO5/c6-4-2(8)1(7)3(9)5(10)11-4/h1-5,7,9-10H/q-1/t1-,2-,3+,4-,5+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.9746 kcal/mol

Physical Properties
Molecular Weight: 167.112 g/mol	logS: 0.77147	SlogP: -1.4286	Reactive groups: 0

Topological Properties
Globularity: 0.200007	Sterimol/B1: 2.58422	Sterimol/B2: 3.09953	Sterimol/B3: 3.55573
Sterimol/B4: 5.07077	Sterimol/L: 9.21281

Surface and Volume Properties
Accessible surface: 301.225	Positive charged surface: 160.384	Negative charged surface: 140.841	Volume: 124.875
Hydrophobic surface: 83.6399	Hydrophilic surface: 217.5851

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 1	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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Parent related molecule:

MMs03781955
PUBCHEM-ZINC06523883