MMsINC Database Search


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MMsINC code: MMs00752791

Type: Ionized
Formula: C₁₄H₉FNO₄-

SMILES:

Fc1ccccc1C(=O)Nc1cc(C(=O)[O-])c(O)cc1

InChI:

InChI=1/C14H10FNO4/c15-11-4-2-1-3-9(11)13(18)16-8-5-6-12(17)10(7-8)14(19)20/h1-7,17H,(H,16,18)(H,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.6628 kcal/mol

Physical Properties
Molecular Weight: 274.227 g/mol	logS: -3.51775	SlogP: 1.1471	Reactive groups: 0

Topological Properties
Globularity: 0.0354666	Sterimol/B1: 2.13107	Sterimol/B2: 3.23448	Sterimol/B3: 3.74424
Sterimol/B4: 5.59181	Sterimol/L: 15.1314

Surface and Volume Properties
Accessible surface: 466.138	Positive charged surface: 207.678	Negative charged surface: 258.46	Volume: 233.125
Hydrophobic surface: 310.931	Hydrophilic surface: 155.207

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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:

MMs00752790
CHEMBRIDGE-ZINC03191947