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APOLLO-ZINC01715589

MMsINC code: MMs00049884

Type: Ionized
Formula: C₇H₅FNO₂-

SMILES:

Fc1ccc(cc1N)C(=O)[O-]

InChI:

InChI=1/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/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)=36.986 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: 1.78703e-08	Sterimol/B1: 2.09723	Sterimol/B2: 2.09755	Sterimol/B3: 3.19691
Sterimol/B4: 5.16966	Sterimol/L: 9.99803

Surface and Volume Properties
Accessible surface: 305.43	Positive charged surface: 140.463	Negative charged surface: 164.966	Volume: 129
Hydrophobic surface: 156.608	Hydrophilic surface: 148.822

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

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Parent related molecule:

MMs00049883
APOLLO-ZINC01715589