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MMsINC code: MMs03071748

Type: Neutral
Formula: C₁₅H₉FN₂O₂

SMILES:

Fc1cc2c(nc(cc2C(O)=O)-c2cccnc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9863 kcal/mol

Physical Properties
Molecular Weight: 268.247 g/mol	logS: -3.37484	SlogP: 3.1341	Reactive groups: 0

Topological Properties
Globularity: 0.000112631	Sterimol/B1: 2.1036	Sterimol/B2: 2.11151	Sterimol/B3: 3.55226
Sterimol/B4: 7.15795	Sterimol/L: 14.4036

Surface and Volume Properties
Accessible surface: 456.897	Positive charged surface: 253.204	Negative charged surface: 192.622	Volume: 236.25
Hydrophobic surface: 333.773	Hydrophilic surface: 123.124

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

MMs03071749
PUBCHEM-ZINC03757200