MMsINC Database Search


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MMsINC code: MMs01207325

Type: Neutral
Formula: C₂₀H₁₃F₂N₃

SMILES:

Fc1ccccc1Nc1nc(nc2c1cccc2)-c1ccc(F)cc1

InChI:

InChI=1/C20H13F2N3/c21-14-11-9-13(10-12-14)19-23-17-7-3-1-5-15(17)20(25-19)24-18-8-4-2-6-16(18)22/h1-12H,(H,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.7973 kcal/mol

Physical Properties
Molecular Weight: 333.341 g/mol	logS: -7.34162	SlogP: 5.3186	Reactive groups: 0

Topological Properties
Globularity: 0.0179728	Sterimol/B1: 2.6571	Sterimol/B2: 2.71089	Sterimol/B3: 5.65455
Sterimol/B4: 8.01535	Sterimol/L: 14.033

Surface and Volume Properties
Accessible surface: 548.53	Positive charged surface: 259.729	Negative charged surface: 277.729	Volume: 303.5
Hydrophobic surface: 509.604	Hydrophilic surface: 38.926

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.