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APOLLO-ZINC04329338

MMsINC code: MMs00059062

Type: Neutral
Formula: C₅H₉FO₄

SMILES:

FC1C(O)C(OC1CO)O

InChI:

InChI=1/C5H9FO4/c6-3-2(1-7)10-5(9)4(3)8/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)=39.0652 kcal/mol

MOE's Descriptors

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

Topological Properties
Globularity: 0.140919	Sterimol/B1: 2.666	Sterimol/B2: 3.15665	Sterimol/B3: 3.41488
Sterimol/B4: 4.04352	Sterimol/L: 9.82992

Surface and Volume Properties
Accessible surface: 311.339	Positive charged surface: 216.713	Negative charged surface: 94.6263	Volume: 122.875
Hydrophobic surface: 110.547	Hydrophilic surface: 200.792

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

MMs00059063
APOLLO-ZINC04329338