MMsINC Database Search


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MMsINC code: MMs02174124

Type: Neutral
Formula: C₂₀H₂₆F₂N₄O

SMILES:

Fc1cccc(F)c1C(=O)Nc1ccc(nc1N(CC)CC)N(CC)CC

InChI:

InChI=1/C20H26F2N4O/c1-5-25(6-2)17-13-12-16(19(24-17)26(7-3)8-4)23-20(27)18-14(21)10-9-11-15(18)22/h9-13H,5-8H2,1-4H3,(H,23,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.608 kcal/mol

Physical Properties
Molecular Weight: 376.451 g/mol	logS: -4.47287	SlogP: 4.3045	Reactive groups: 0

Topological Properties
Globularity: 0.101386	Sterimol/B1: 2.43043	Sterimol/B2: 3.30843	Sterimol/B3: 4.89435
Sterimol/B4: 9.07132	Sterimol/L: 16.3564

Surface and Volume Properties
Accessible surface: 633.692	Positive charged surface: 398.083	Negative charged surface: 235.609	Volume: 367
Hydrophobic surface: 488.155	Hydrophilic surface: 145.537

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.