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ACROSORGANICS-ZINC00157326

MMsINC code: MMs00005638

Type: Neutral
Formula: C₇H₅FO₂

SMILES:

Fc1cc(ccc1)C(O)=O

InChI:

InChI=1/C7H5FO2/c8-6-3-1-2-5(4-6)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)=17.0474 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: 2.31886e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.0988	Sterimol/B3: 2.6336
Sterimol/B4: 5.11845	Sterimol/L: 9.84134

Surface and Volume Properties
Accessible surface: 293.811	Positive charged surface: 140.066	Negative charged surface: 153.745	Volume: 120.75
Hydrophobic surface: 199.85	Hydrophilic surface: 93.961

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

MMs00005639
ACROSORGANICS-ZINC00157326