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MMsINC code: MMs01017368

Type: Neutral
Formula: C₁₆H₁₆F₂N₄O

SMILES:

Fc1cccc(F)c1C(=O)NC1CCN(CC1)c1ncccn1

InChI:

InChI=1/C16H16F2N4O/c17-12-3-1-4-13(18)14(12)15(23)21-11-5-9-22(10-6-11)16-19-7-2-8-20-16/h1-4,7-8,11H,5-6,9-10H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.983 kcal/mol

Physical Properties
Molecular Weight: 318.327 g/mol	logS: -3.8997	SlogP: 2.1536	Reactive groups: 0

Topological Properties
Globularity: 0.0280402	Sterimol/B1: 2.92773	Sterimol/B2: 3.71863	Sterimol/B3: 3.91509
Sterimol/B4: 3.97528	Sterimol/L: 18.3257

Surface and Volume Properties
Accessible surface: 548.921	Positive charged surface: 365.518	Negative charged surface: 183.403	Volume: 283.75
Hydrophobic surface: 475.314	Hydrophilic surface: 73.607

Pharmacophoric Properties
Hydrogen bond donors: 1	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.