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ACROSORGANICS-ZINC00164451

MMsINC code: MMs00006154

Type: Neutral
Formula: C₇H₅FO₂

SMILES:

Fc1ccccc1C(O)=O

InChI:

InChI=1/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.951 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 140.113 g/mol	logS: -1.64926	SlogP: 1.5239	Reactive groups: 0

Topological Properties
Globularity: 1.89989e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09881	Sterimol/B3: 2.47808
Sterimol/B4: 5.30255	Sterimol/L: 9.84324

Surface and Volume Properties
Accessible surface: 294.071	Positive charged surface: 146.467	Negative charged surface: 147.604	Volume: 121.875
Hydrophobic surface: 200.735	Hydrophilic surface: 93.336

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

MMs00006155
ACROSORGANICS-ZINC00164451