MMsINC Database Search


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MMsINC code: MMs01259559

Type: Neutral
Formula: C₂₀H₁₉FN₄O₃

SMILES:

Fc1ccccc1C(=O)NNC(=O)C1=NN(CCCC)C(=O)c2c1cccc2

InChI:

InChI=1/C20H19FN4O3/c1-2-3-12-25-20(28)14-9-5-4-8-13(14)17(24-25)19(27)23-22-18(26)15-10-6-7-11-16(15)21/h4-11H,2-3,12H2,1H3,(H,22,26)(H,23,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.296 kcal/mol

Physical Properties
Molecular Weight: 382.395 g/mol	logS: -5.6496	SlogP: 2.2469	Reactive groups: 0

Topological Properties
Globularity: 0.025414	Sterimol/B1: 2.08274	Sterimol/B2: 2.47838	Sterimol/B3: 4.28959
Sterimol/B4: 11.5454	Sterimol/L: 16.8538

Surface and Volume Properties
Accessible surface: 654.024	Positive charged surface: 379.152	Negative charged surface: 274.872	Volume: 347.25
Hydrophobic surface: 500.435	Hydrophilic surface: 153.589

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.