MMsINC Database Search


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MMsINC code: MMs00499456

Type: Neutral
Formula: C₁₅H₁₂FNO₄

SMILES:

Fc1ccc(cc1)-c1c(C(O)=O)c(nc(C)c1C(O)=O)C

InChI:

InChI=1/C15H12FNO4/c1-7-11(14(18)19)13(9-3-5-10(16)6-4-9)12(15(20)21)8(2)17-7/h3-6H,1-2H3,(H,18,19)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.8091 kcal/mol

Physical Properties
Molecular Weight: 289.262 g/mol	logS: -3.41368	SlogP: 2.90094	Reactive groups: 0

Topological Properties
Globularity: 0.133552	Sterimol/B1: 2.89351	Sterimol/B2: 3.21519	Sterimol/B3: 3.50947
Sterimol/B4: 7.59388	Sterimol/L: 12.444

Surface and Volume Properties
Accessible surface: 482.972	Positive charged surface: 266.045	Negative charged surface: 215.24	Volume: 251.375
Hydrophobic surface: 329.573	Hydrophilic surface: 153.399

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	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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Ions/Tautomers related molecules

MMs00499457
CHEMBLOCK-ZINC00111319