MMsINC Database Search


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MMsINC code: MMs02362903

Type: Ionized
Formula: C₁₄H₉FNO₃-

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C14H10FNO3/c15-11-5-1-9(2-6-11)13(17)16-12-7-3-10(4-8-12)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)=52.2238 kcal/mol

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

Topological Properties
Globularity: 0.0187517	Sterimol/B1: 2.36432	Sterimol/B2: 2.63369	Sterimol/B3: 2.89989
Sterimol/B4: 4.82167	Sterimol/L: 15.9573

Surface and Volume Properties
Accessible surface: 458.793	Positive charged surface: 203.45	Negative charged surface: 255.343	Volume: 229.75
Hydrophobic surface: 329.61	Hydrophilic surface: 129.183

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:

MMs02362902
NCID-ZINC01752792