MMsINC Database Search


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MMsINC code: MMs00298569

Type: Neutral
Formula: C₁₇H₁₅FN₂

SMILES:

Fc1ccc(Nc2cc(nc3c2cccc3C)C)cc1

InChI:

InChI=1/C17H15FN2/c1-11-4-3-5-15-16(10-12(2)19-17(11)15)20-14-8-6-13(18)7-9-14/h3-10H,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.5859 kcal/mol

Physical Properties
Molecular Weight: 266.319 g/mol	logS: -4.36258	SlogP: 4.73434	Reactive groups: 0

Topological Properties
Globularity: 0.0390449	Sterimol/B1: 2.93346	Sterimol/B2: 3.09537	Sterimol/B3: 4.6526
Sterimol/B4: 5.80982	Sterimol/L: 14.9121

Surface and Volume Properties
Accessible surface: 492.396	Positive charged surface: 277.577	Negative charged surface: 209.918	Volume: 261.375
Hydrophobic surface: 471.964	Hydrophilic surface: 20.432

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.