MMsINC Database Search


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MMsINC code: MMs02886061

Type: Neutral
Formula: C₁₆H₁₂F₃NO₄

SMILES:

FC(F)(F)Oc1ccc(NC(=O)c2ccccc2CC(O)=O)cc1

InChI:

InChI=1/C16H12F3NO4/c17-16(18,19)24-12-7-5-11(6-8-12)20-15(23)13-4-2-1-3-10(13)9-14(21)22/h1-8H,9H2,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.8104 kcal/mol

Physical Properties
Molecular Weight: 339.269 g/mol	logS: -4.57507	SlogP: 3.88447	Reactive groups: 0

Topological Properties
Globularity: 0.0474155	Sterimol/B1: 3.08666	Sterimol/B2: 3.43213	Sterimol/B3: 3.75191
Sterimol/B4: 7.00008	Sterimol/L: 16.4844

Surface and Volume Properties
Accessible surface: 534.551	Positive charged surface: 248.643	Negative charged surface: 285.908	Volume: 274.5
Hydrophobic surface: 308.522	Hydrophilic surface: 226.029

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02886062
PUBCHEM-ZINC02381050