MMsINC Database Search


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MMsINC code: MMs03189032

Type: Neutral
Formula: C₁₉H₁₃FN₂

SMILES:

Fc1ccc(Nc2c3c(nc4c2cccc4)cccc3)cc1

InChI:

InChI=1/C19H13FN2/c20-13-9-11-14(12-10-13)21-19-15-5-1-3-7-17(15)22-18-8-4-2-6-16(18)19/h1-12H,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.9916 kcal/mol

Physical Properties
Molecular Weight: 288.325 g/mol	logS: -5.7354	SlogP: 5.2707	Reactive groups: 0

Topological Properties
Globularity: 0.15883	Sterimol/B1: 2.46071	Sterimol/B2: 3.15281	Sterimol/B3: 4.7081
Sterimol/B4: 9.65044	Sterimol/L: 12.4636

Surface and Volume Properties
Accessible surface: 505.94	Positive charged surface: 265.494	Negative charged surface: 234.721	Volume: 277
Hydrophobic surface: 465.738	Hydrophilic surface: 40.202

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.