MMsINC Database Search


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MMsINC code: MMs02610928

Type: Neutral
Formula: C₁₉H₁₆FN₃

SMILES:

Fc1ccccc1-c1nc(nc(NC2CC2)c1)-c1ccccc1

InChI:

InChI=1/C19H16FN3/c20-16-9-5-4-8-15(16)17-12-18(21-14-10-11-14)23-19(22-17)13-6-2-1-3-7-13/h1-9,12,14H,10-11H2,(H,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.1651 kcal/mol

Physical Properties
Molecular Weight: 305.356 g/mol	logS: -6.32366	SlogP: 4.524	Reactive groups: 0

Topological Properties
Globularity: 0.0186821	Sterimol/B1: 2.78114	Sterimol/B2: 2.86299	Sterimol/B3: 5.1018
Sterimol/B4: 8.20118	Sterimol/L: 14.3096

Surface and Volume Properties
Accessible surface: 559.152	Positive charged surface: 307.868	Negative charged surface: 241.845	Volume: 300.375
Hydrophobic surface: 465.023	Hydrophilic surface: 94.129

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.