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MMsINC code: MMs03071746

Type: Neutral
Formula: C₁₅H₉FN₂O₂

SMILES:

Fc1cc2c(nc(cc2C(O)=O)-c2ncccc2)cc1

InChI:

InChI=1/C15H9FN2O2/c16-9-4-5-12-10(7-9)11(15(19)20)8-14(18-12)13-3-1-2-6-17-13/h1-8H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6823 kcal/mol

Physical Properties
Molecular Weight: 268.247 g/mol	logS: -3.34364	SlogP: 3.1341	Reactive groups: 0

Topological Properties
Globularity: 0.00010649	Sterimol/B1: 2.10243	Sterimol/B2: 2.11318	Sterimol/B3: 3.3863
Sterimol/B4: 7.31466	Sterimol/L: 14.4217

Surface and Volume Properties
Accessible surface: 467.094	Positive charged surface: 255.064	Negative charged surface: 206.494	Volume: 237.5
Hydrophobic surface: 344.083	Hydrophilic surface: 123.011

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs03071747
PUBCHEM-ZINC03757199