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ACROSORGANICS-ZINC02140958

MMsINC code: MMs00012882

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.9657 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: 0.112829	Sterimol/B1: 2.44451	Sterimol/B2: 3.5793	Sterimol/B3: 3.78602
Sterimol/B4: 3.90555	Sterimol/L: 10.414

Surface and Volume Properties
Accessible surface: 325.655	Positive charged surface: 160.245	Negative charged surface: 165.41	Volume: 137.75
Hydrophobic surface: 197.377	Hydrophilic surface: 128.278

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

MMs00012883
ACROSORGANICS-ZINC02140958