MMsINC Database Search


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MMsINC code: MMs00975601

Type: Neutral
Formula: C₂₄H₁₆F₃N₃

SMILES:

Fc1cc(F)cc2c1ncc1c2n(nc1-c1ccc(F)cc1)-c1cc(C)c(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.813 kcal/mol

Physical Properties
Molecular Weight: 403.407 g/mol	logS: -8.20197	SlogP: 6.27484	Reactive groups: 0

Topological Properties
Globularity: 0.0523694	Sterimol/B1: 2.84485	Sterimol/B2: 3.79046	Sterimol/B3: 4.33905
Sterimol/B4: 9.01714	Sterimol/L: 16.4125

Surface and Volume Properties
Accessible surface: 624.817	Positive charged surface: 313.046	Negative charged surface: 300.739	Volume: 360.375
Hydrophobic surface: 589.006	Hydrophilic surface: 35.811

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.