MMsINC Database Search


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MMsINC code: MMs02036266

Type: Neutral
Formula: C₁₆H₉F₃N₂O₃

SMILES:

FC(F)(F)c1cc(ccc1)C(=O)Nc1cc2c(cc1)C(=O)NC2=O

InChI:

InChI=1/C16H9F3N2O3/c17-16(18,19)9-3-1-2-8(6-9)13(22)20-10-4-5-11-12(7-10)15(24)21-14(11)23/h1-7H,(H,20,22)(H,21,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.8085 kcal/mol

Physical Properties
Molecular Weight: 334.253 g/mol	logS: -5.06726	SlogP: 3.1528	Reactive groups: 0

Topological Properties
Globularity: 0.0197651	Sterimol/B1: 2.097	Sterimol/B2: 2.55655	Sterimol/B3: 3.5038
Sterimol/B4: 6.38118	Sterimol/L: 16.5052

Surface and Volume Properties
Accessible surface: 519.05	Positive charged surface: 213.499	Negative charged surface: 305.551	Volume: 263.625
Hydrophobic surface: 241.572	Hydrophilic surface: 277.478

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.