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ACROSORGANICS-ZINC02140958

MMsINC code: MMs00012883

Type: Ionized
Formula: C₈H₆FO₂-

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)/p-1/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.8663 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 153.132 g/mol	logS: -1.93842	SlogP: 0.5426	Reactive groups: 0

Topological Properties
Globularity: 0.100449	Sterimol/B1: 3.03076	Sterimol/B2: 3.24111	Sterimol/B3: 3.61528
Sterimol/B4: 3.82947	Sterimol/L: 9.80376

Surface and Volume Properties
Accessible surface: 319.473	Positive charged surface: 137.687	Negative charged surface: 181.786	Volume: 137
Hydrophobic surface: 202.946	Hydrophilic surface: 116.527

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	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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Parent related molecule:

MMs00012882
ACROSORGANICS-ZINC02140958