MMsINC Database Search


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MMsINC code: MMs01074239

Type: Ionized
Formula: C₁₄H₉FNO₃-

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccccc1C(=O)[O-]

InChI:

InChI=1/C14H10FNO3/c15-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)14(18)19/h1-8H,(H,16,17)(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.9325 kcal/mol

Physical Properties
Molecular Weight: 258.228 g/mol	logS: -3.8797	SlogP: 1.4415	Reactive groups: 0

Topological Properties
Globularity: 0.013768	Sterimol/B1: 2.53891	Sterimol/B2: 2.54639	Sterimol/B3: 3.58646
Sterimol/B4: 5.53973	Sterimol/L: 14.5886

Surface and Volume Properties
Accessible surface: 448.924	Positive charged surface: 206.322	Negative charged surface: 242.602	Volume: 228.125
Hydrophobic surface: 343.226	Hydrophilic surface: 105.698

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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:

MMs01074238
CHEMSTAR-ZINC00264138