MMsINC Database Search


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MMsINC code: MMs00975637

Type: Neutral
Formula: C₂₄H₁₆F₃N₃

SMILES:

Fc1cc(F)cc2c1ncc1c2n(nc1-c1ccc(F)cc1)-c1cccc(C)c1C

InChI:

InChI=1/C24H16F3N3/c1-13-4-3-5-21(14(13)2)30-24-18-10-17(26)11-20(27)23(18)28-12-19(24)22(29-30)15-6-8-16(25)9-7-15/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.256 kcal/mol

Physical Properties
Molecular Weight: 403.407 g/mol	logS: -7.88852	SlogP: 6.27484	Reactive groups: 0

Topological Properties
Globularity: 0.113058	Sterimol/B1: 2.54359	Sterimol/B2: 2.75214	Sterimol/B3: 5.90198
Sterimol/B4: 9.81558	Sterimol/L: 15.6987

Surface and Volume Properties
Accessible surface: 614.08	Positive charged surface: 311.75	Negative charged surface: 294.438	Volume: 361.875
Hydrophobic surface: 582.185	Hydrophilic surface: 31.895

Pharmacophoric Properties
Hydrogen bond donors: 0	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.