MMsINC Database Search


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MMsINC code: MMs00975608

Type: Neutral
Formula: C₂₄H₁₇FN₄O

SMILES:

Fc1cc2c3n(nc(c3cnc2cc1)-c1ccccc1)CC(=O)Nc1ccccc1

InChI:

InChI=1/C24H17FN4O/c25-17-11-12-21-19(13-17)24-20(14-26-21)23(16-7-3-1-4-8-16)28-29(24)15-22(30)27-18-9-5-2-6-10-18/h1-14H,15H2,(H,27,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.593 kcal/mol

Physical Properties
Molecular Weight: 396.425 g/mol	logS: -6.83674	SlogP: 5.2957	Reactive groups: 0

Topological Properties
Globularity: 0.0850938	Sterimol/B1: 3.28726	Sterimol/B2: 3.84794	Sterimol/B3: 4.59295
Sterimol/B4: 9.66563	Sterimol/L: 16.9955

Surface and Volume Properties
Accessible surface: 645.805	Positive charged surface: 352.262	Negative charged surface: 284.319	Volume: 371
Hydrophobic surface: 571.271	Hydrophilic surface: 74.534

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.