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ACROSORGANICS-ZINC02140957

MMsINC code: MMs00012880

Type: Neutral
Formula: C₈H₇FO₂

SMILES:

FC(C(O)=O)c1ccccc1

InChI:

InChI=1/C8H7FO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.9644 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 154.14 g/mol	logS: -1.67797	SlogP: 1.8773	Reactive groups: 0

Topological Properties
Globularity: 0.112783	Sterimol/B1: 2.44625	Sterimol/B2: 3.57953	Sterimol/B3: 3.78225
Sterimol/B4: 3.90436	Sterimol/L: 10.4139

Surface and Volume Properties
Accessible surface: 325.681	Positive charged surface: 159.682	Negative charged surface: 165.998	Volume: 137.75
Hydrophobic surface: 197.603	Hydrophilic surface: 128.078

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00012881
ACROSORGANICS-ZINC02140957