MMsINC Database Search


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MMsINC code: MMs02610937

Type: Neutral
Formula: C₂₃H₁₉FN₄

SMILES:

Fc1ccccc1-c1nc(nc(N(Cc2ccccc2)C)c1)-c1ncccc1

InChI:

InChI=1/C23H19FN4/c1-28(16-17-9-3-2-4-10-17)22-15-21(18-11-5-6-12-19(18)24)26-23(27-22)20-13-7-8-14-25-20/h2-15H,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.4884 kcal/mol

Physical Properties
Molecular Weight: 370.431 g/mol	logS: -6.38079	SlogP: 5.2475	Reactive groups: 0

Topological Properties
Globularity: 0.0862518	Sterimol/B1: 2.03872	Sterimol/B2: 2.64535	Sterimol/B3: 5.33155
Sterimol/B4: 11.1254	Sterimol/L: 15.6266

Surface and Volume Properties
Accessible surface: 627.002	Positive charged surface: 381.559	Negative charged surface: 239.478	Volume: 363.5
Hydrophobic surface: 579.706	Hydrophilic surface: 47.296

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.