MMsINC Database Search


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MMsINC code: MMs00613242

Type: Ionized
Formula: C₁₄H₉FNO₃-

SMILES:

Fc1cc(ccc1)C(=O)Nc1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C14H10FNO3/c15-11-3-1-2-10(8-11)13(17)16-12-6-4-9(5-7-12)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)=49.426 kcal/mol

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

Topological Properties
Globularity: 0.0181294	Sterimol/B1: 2.097	Sterimol/B2: 2.86744	Sterimol/B3: 3.12951
Sterimol/B4: 4.8176	Sterimol/L: 15.723

Surface and Volume Properties
Accessible surface: 460.917	Positive charged surface: 202.108	Negative charged surface: 258.809	Volume: 230.25
Hydrophobic surface: 332.305	Hydrophilic surface: 128.612

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:

MMs00613241
CHEMBRIDGE-ZINC00432969