MMsINC Database Search


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MMsINC code: MMs02157455

Type: Neutral
Formula: C₂₀H₁₅F₂N₃O₂

SMILES:

Fc1cccc(F)c1C(=O)Nc1ccccc1C(=O)NCc1cccnc1

InChI:

InChI=1/C20H15F2N3O2/c21-15-7-3-8-16(22)18(15)20(27)25-17-9-2-1-6-14(17)19(26)24-12-13-5-4-10-23-11-13/h1-11H,12H2,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3515 kcal/mol

Physical Properties
Molecular Weight: 367.355 g/mol	logS: -4.60072	SlogP: 3.8085	Reactive groups: 0

Topological Properties
Globularity: 0.0588202	Sterimol/B1: 2.67343	Sterimol/B2: 3.63033	Sterimol/B3: 3.72225
Sterimol/B4: 8.70516	Sterimol/L: 17.6332

Surface and Volume Properties
Accessible surface: 614.099	Positive charged surface: 347.229	Negative charged surface: 266.87	Volume: 325.875
Hydrophobic surface: 536.077	Hydrophilic surface: 78.022

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.