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ACROSORGANICS-ZINC00262409

MMsINC code: MMs00006570

Type: Neutral
Formula: C₈H₇FO₃

SMILES:

Fc1ccccc1OCC(O)=O

InChI:

InChI=1/C8H7FO3/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.6769 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 170.139 g/mol	logS: -1.72608	SlogP: 1.2891	Reactive groups: 0

Topological Properties
Globularity: 0.0114764	Sterimol/B1: 2.37376	Sterimol/B2: 2.37633	Sterimol/B3: 2.53262
Sterimol/B4: 5.49327	Sterimol/L: 12.0986

Surface and Volume Properties
Accessible surface: 346.173	Positive charged surface: 181.904	Negative charged surface: 164.269	Volume: 147.25
Hydrophobic surface: 237.382	Hydrophilic surface: 108.791

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs00006571
ACROSORGANICS-ZINC00262409