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ACROSORGANICS-ZINC00388688

MMsINC code: MMs00007110

Type: Neutral
Formula: C₈H₇FO₂

SMILES:

Fc1cc(ccc1)CC(O)=O

InChI:

InChI=1/C8H7FO2/c9-7-3-1-2-6(4-7)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)=21.0395 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 154.14 g/mol	logS: -1.71073	SlogP: 1.45277	Reactive groups: 0

Topological Properties
Globularity: 0.107576	Sterimol/B1: 2.42637	Sterimol/B2: 2.9914	Sterimol/B3: 3.16984
Sterimol/B4: 5.05366	Sterimol/L: 10.6545

Surface and Volume Properties
Accessible surface: 326.585	Positive charged surface: 176.712	Negative charged surface: 149.872	Volume: 138.75
Hydrophobic surface: 231.624	Hydrophilic surface: 94.961

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs00007111
ACROSORGANICS-ZINC00388688