MMsINC Database Search


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MMsINC code: MMs03106564

Type: Neutral
Formula: C₂₀H₁₅F₂N₅O

SMILES:

Fc1cc(cc(F)c1)C1=Nc2c(nc(nc2)N(C)C)N(C1=O)c1ccccc1

InChI:

InChI=1/C20H15F2N5O/c1-26(2)20-23-11-16-18(25-20)27(15-6-4-3-5-7-15)19(28)17(24-16)12-8-13(21)10-14(22)9-12/h3-11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0481 kcal/mol

Physical Properties
Molecular Weight: 379.37 g/mol	logS: -6.01045	SlogP: 3.6199	Reactive groups: 0

Topological Properties
Globularity: 0.0514489	Sterimol/B1: 2.24906	Sterimol/B2: 3.3625	Sterimol/B3: 3.66294
Sterimol/B4: 9.7403	Sterimol/L: 16.0739

Surface and Volume Properties
Accessible surface: 600.383	Positive charged surface: 392.617	Negative charged surface: 207.766	Volume: 335.75
Hydrophobic surface: 547.723	Hydrophilic surface: 52.66

Pharmacophoric Properties
Hydrogen bond donors: 0	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.