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MMsINC code: MMs03172357

Type: Neutral
Formula: C₁₄H₁₁FN₂O₃

SMILES:

Fc1cc(NC(=O)Nc2ccccc2C(O)=O)ccc1

InChI:

InChI=1/C14H11FN2O3/c15-9-4-3-5-10(8-9)16-14(20)17-12-7-2-1-6-11(12)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.1218 kcal/mol

Physical Properties
Molecular Weight: 274.251 g/mol	logS: -3.51643	SlogP: 3.1679	Reactive groups: 0

Topological Properties
Globularity: 0.049891	Sterimol/B1: 2.78081	Sterimol/B2: 3.07206	Sterimol/B3: 3.51161
Sterimol/B4: 6.31874	Sterimol/L: 14.3627

Surface and Volume Properties
Accessible surface: 479.51	Positive charged surface: 258.496	Negative charged surface: 221.014	Volume: 238
Hydrophobic surface: 345.903	Hydrophilic surface: 133.607

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	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

MMs03172358
PUBCHEM-ZINC04795693