MMsINC Database Search


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MMsINC code: MMs02132855

Type: Neutral
Formula: C₁₆H₁₆F₂N₄O₂

SMILES:

Fc1cc(cc(F)c1N(C)C)C(=O)NC(=O)NCc1cccnc1

InChI:

InChI=1/C16H16F2N4O2/c1-22(2)14-12(17)6-11(7-13(14)18)15(23)21-16(24)20-9-10-4-3-5-19-8-10/h3-8H,9H2,1-2H3,(H2,20,21,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.897 kcal/mol

Physical Properties
Molecular Weight: 334.326 g/mol	logS: -2.78667	SlogP: 2.3318	Reactive groups: 0

Topological Properties
Globularity: 0.0410907	Sterimol/B1: 2.41393	Sterimol/B2: 2.83735	Sterimol/B3: 4.89936
Sterimol/B4: 6.04187	Sterimol/L: 17.7551

Surface and Volume Properties
Accessible surface: 579.46	Positive charged surface: 394.184	Negative charged surface: 185.276	Volume: 296.625
Hydrophobic surface: 459.176	Hydrophilic surface: 120.284

Pharmacophoric Properties
Hydrogen bond donors: 2	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.