MMsINC Database Search


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MMsINC code: MMs01900422

Type: Neutral
Formula: C₁₁H₉F₄NO₃

SMILES:

FC(F)(\C(=N/O)\CC(=O)c1ccccc1O)C(F)F

InChI:

InChI=1/C11H9F4NO3/c12-10(13)11(14,15)9(16-19)5-8(18)6-3-1-2-4-7(6)17/h1-4,10,17,19H,5H2/b16-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.3653 kcal/mol

Physical Properties
Molecular Weight: 279.189 g/mol	logS: -2.58778	SlogP: 3.5354	Reactive groups: 0

Topological Properties
Globularity: 0.196026	Sterimol/B1: 2.5137	Sterimol/B2: 2.61596	Sterimol/B3: 4.89827
Sterimol/B4: 5.30614	Sterimol/L: 12.6943

Surface and Volume Properties
Accessible surface: 434.131	Positive charged surface: 193.676	Negative charged surface: 240.454	Volume: 211
Hydrophobic surface: 192.831	Hydrophilic surface: 241.3

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