MMsINC Database Search


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MMsINC code: MMs00109680

Type: Neutral
Formula: C₁₅H₁₃F₂NO₃

SMILES:

Fc1cc(NC(=O)c2cc(OC)c(OC)cc2)ccc1F

InChI:

InChI=1/C15H13F2NO3/c1-20-13-6-3-9(7-14(13)21-2)15(19)18-10-4-5-11(16)12(17)8-10/h3-8H,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.1433 kcal/mol

Physical Properties
Molecular Weight: 293.269 g/mol	logS: -4.04559	SlogP: 3.2343	Reactive groups: 0

Topological Properties
Globularity: 0.0219316	Sterimol/B1: 2.07492	Sterimol/B2: 2.49841	Sterimol/B3: 3.01575
Sterimol/B4: 7.46562	Sterimol/L: 16.277

Surface and Volume Properties
Accessible surface: 512.232	Positive charged surface: 319.067	Negative charged surface: 193.165	Volume: 254.875
Hydrophobic surface: 457.668	Hydrophilic surface: 54.564

Pharmacophoric Properties
Hydrogen bond donors: 1	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.