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MMsINC code: MMs01110334

Type: Neutral
Formula: C₁₄H₉FINO₃

SMILES:

Ic1cc(C(O)=O)c(NC(=O)c2ccc(F)cc2)cc1

InChI:

InChI=1/C14H9FINO3/c15-9-3-1-8(2-4-9)13(18)17-12-6-5-10(16)7-11(12)14(19)20/h1-7H,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.7168 kcal/mol

Physical Properties
Molecular Weight: 385.132 g/mol	logS: -4.61077	SlogP: 3.3808	Reactive groups: 0

Topological Properties
Globularity: 0.0179236	Sterimol/B1: 2.097	Sterimol/B2: 2.9855	Sterimol/B3: 3.09554
Sterimol/B4: 6.61175	Sterimol/L: 16.255

Surface and Volume Properties
Accessible surface: 493.488	Positive charged surface: 202.171	Negative charged surface: 291.316	Volume: 259.375
Hydrophobic surface: 382.039	Hydrophilic surface: 111.449

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs01110335
CHEMSTAR-ZINC04179386