MMsINC Database Search


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MMsINC code: MMs01216622

Type: Neutral
Formula: C₂₄H₂₄F₂N₄O

SMILES:

Fc1ccccc1C(=O)N1CCN(CC1)c1nc(nc(C)c1CC)-c1cc(F)ccc1

InChI:

InChI=1/C24H24F2N4O/c1-3-19-16(2)27-22(17-7-6-8-18(25)15-17)28-23(19)29-11-13-30(14-12-29)24(31)20-9-4-5-10-21(20)26/h4-10,15H,3,11-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.9 kcal/mol

Physical Properties
Molecular Weight: 422.479 g/mol	logS: -6.77443	SlogP: 4.25499	Reactive groups: 0

Topological Properties
Globularity: 0.105846	Sterimol/B1: 2.48893	Sterimol/B2: 3.69528	Sterimol/B3: 4.76273
Sterimol/B4: 11.1889	Sterimol/L: 16.2535

Surface and Volume Properties
Accessible surface: 686.842	Positive charged surface: 400.509	Negative charged surface: 280.921	Volume: 395.5
Hydrophobic surface: 611.821	Hydrophilic surface: 75.021

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.