MMsINC Database Search


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MMsINC code: MMs01213564

Type: Neutral
Formula: C₂₄H₂₄F₂N₄O

SMILES:

Fc1ccccc1C(=O)N1CCN(CC1)c1nc(nc(C)c1Cc1ccc(F)cc1)C

InChI:

InChI=1/C24H24F2N4O/c1-16-21(15-18-7-9-19(25)10-8-18)23(28-17(2)27-16)29-11-13-30(14-12-29)24(31)20-5-3-4-6-22(20)26/h3-10H,11-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.708 kcal/mol

Physical Properties
Molecular Weight: 422.479 g/mol	logS: -5.2083	SlogP: 3.92481	Reactive groups: 0

Topological Properties
Globularity: 0.142716	Sterimol/B1: 4.46438	Sterimol/B2: 4.49228	Sterimol/B3: 5.65596
Sterimol/B4: 7.45	Sterimol/L: 15.8409

Surface and Volume Properties
Accessible surface: 669.382	Positive charged surface: 401.906	Negative charged surface: 267.476	Volume: 395.625
Hydrophobic surface: 606.477	Hydrophilic surface: 62.905

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.