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ACROSORGANICS-ZINC00153055

MMsINC code: MMs00004699

Type: Ionized
Formula: C₇H₅FNO₂-

SMILES:

Fc1cccc(N)c1C(=O)[O-]

InChI:

InChI=1/C7H6FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.533 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 154.12 g/mol	logS: -1.63059	SlogP: -0.2286	Reactive groups: 0

Topological Properties
Globularity: 2.25255e-08	Sterimol/B1: 2.09724	Sterimol/B2: 2.0974	Sterimol/B3: 3.34135
Sterimol/B4: 4.97929	Sterimol/L: 9.18778

Surface and Volume Properties
Accessible surface: 298.545	Positive charged surface: 145.36	Negative charged surface: 153.186	Volume: 126.375
Hydrophobic surface: 169.779	Hydrophilic surface: 128.766

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

search links for this molecule:

Parent related molecule:

MMs00004698
ACROSORGANICS-ZINC00153055