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ACROSORGANICS-ZINC00225404

MMsINC code: MMs00006500

Type: Neutral
Formula: C₈H₇FO₃

SMILES:

Fc1cc(ccc1OC)C(O)=O

InChI:

InChI=1/C8H7FO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.0956 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 170.139 g/mol	logS: -1.69964	SlogP: 1.5325	Reactive groups: 0

Topological Properties
Globularity: 0.0122166	Sterimol/B1: 2.37363	Sterimol/B2: 2.37676	Sterimol/B3: 3.53104
Sterimol/B4: 4.49118	Sterimol/L: 12.0405

Surface and Volume Properties
Accessible surface: 339.885	Positive charged surface: 204.771	Negative charged surface: 135.114	Volume: 146.875
Hydrophobic surface: 234.265	Hydrophilic surface: 105.62

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

MMs00006501
ACROSORGANICS-ZINC00225404