MMsINC Database Search


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MMsINC code: MMs00540434

Type: Neutral
Formula: C₁₄H₉F₂N₃O

SMILES:

Fc1cc(NC(=O)c2cc3[nH]cnc3cc2)ccc1F

InChI:

InChI=1/C14H9F2N3O/c15-10-3-2-9(6-11(10)16)19-14(20)8-1-4-12-13(5-8)18-7-17-12/h1-7H,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.202 kcal/mol

Physical Properties
Molecular Weight: 273.242 g/mol	logS: -4.36453	SlogP: 3.0934	Reactive groups: 0

Topological Properties
Globularity: 0.013781	Sterimol/B1: 2.2778	Sterimol/B2: 2.83507	Sterimol/B3: 2.83529
Sterimol/B4: 5.42058	Sterimol/L: 16.2545

Surface and Volume Properties
Accessible surface: 460.878	Positive charged surface: 247.909	Negative charged surface: 212.97	Volume: 232.25
Hydrophobic surface: 371.74	Hydrophilic surface: 89.138

Pharmacophoric Properties
Hydrogen bond donors: 3	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.