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MMsINC code: MMs02201581

Type: Neutral
Formula: C₁₆H₁₀F₅NO₃

SMILES:

Fc1c(CC(NC(=O)c2ccccc2)C(O)=O)c(F)c(F)c(F)c1F

InChI:

InChI=1/C16H10F5NO3/c17-10-8(11(18)13(20)14(21)12(10)19)6-9(16(24)25)22-15(23)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,22,23)(H,24,25)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.57 kcal/mol

Physical Properties
Molecular Weight: 359.25 g/mol	logS: -4.83112	SlogP: 2.80777	Reactive groups: 0

Topological Properties
Globularity: 0.153105	Sterimol/B1: 3.37563	Sterimol/B2: 3.92636	Sterimol/B3: 4.83849
Sterimol/B4: 7.15059	Sterimol/L: 13.1375

Surface and Volume Properties
Accessible surface: 526.656	Positive charged surface: 223.8	Negative charged surface: 302.855	Volume: 274.125
Hydrophobic surface: 410.929	Hydrophilic surface: 115.727

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02201582
NANOSIN-ZINC02025532