MMsINC Database Search


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MMsINC code: MMs00885403

Type: Neutral
Formula: C₂₄H₁₆F₂N₄

SMILES:

Fc1ccc(Nc2ncnc3n(cc(c23)-c2ccccc2)-c2ccc(F)cc2)cc1

InChI:

InChI=1/C24H16F2N4/c25-17-6-10-19(11-7-17)29-23-22-21(16-4-2-1-3-5-16)14-30(24(22)28-15-27-23)20-12-8-18(26)9-13-20/h1-15H,(H,27,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.854 kcal/mol

Physical Properties
Molecular Weight: 398.416 g/mol	logS: -8.48049	SlogP: 6.1093	Reactive groups: 0

Topological Properties
Globularity: 0.0535079	Sterimol/B1: 2.3267	Sterimol/B2: 3.11041	Sterimol/B3: 3.2943
Sterimol/B4: 9.976	Sterimol/L: 17.7279

Surface and Volume Properties
Accessible surface: 635.314	Positive charged surface: 342.051	Negative charged surface: 288.976	Volume: 367.75
Hydrophobic surface: 578.807	Hydrophilic surface: 56.507

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: 0

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Ions/Tautomers related molecules: no related molecules available.