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MMsINC code: MMs03434922

Type: Neutral
Formula: C₁₅H₁₀F₅NO₃

SMILES:

Fc1c(NC(=O)C2C3CC(C=C3)C2C(O)=O)c(F)c(F)c(F)c1F

InChI:

InChI=1/C15H10F5NO3/c16-8-9(17)11(19)13(12(20)10(8)18)21-14(22)6-4-1-2-5(3-4)7(6)15(23)24/h1-2,4-7H,3H2,(H,21,22)(H,23,24)/t4-,5+,6-,7+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.32 kcal/mol

Physical Properties
Molecular Weight: 347.239 g/mol	logS: -3.40235	SlogP: 2.8435	Reactive groups: 0

Topological Properties
Globularity: 0.143551	Sterimol/B1: 3.27549	Sterimol/B2: 3.62188	Sterimol/B3: 4.58257
Sterimol/B4: 4.79017	Sterimol/L: 13.6377

Surface and Volume Properties
Accessible surface: 462.185	Positive charged surface: 248.756	Negative charged surface: 213.428	Volume: 255.5
Hydrophobic surface: 360.405	Hydrophilic surface: 101.78

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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

MMs03434923
PUBCHEM-ZINC05898724