MMsINC Database Search


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MMsINC code: MMs02614506

Type: Neutral
Formula: C₁₉H₁₈FN₃O

SMILES:

Fc1ccc(cc1)-c1nc(nc(NCCOC)c1)-c1ccccc1

InChI:

InChI=1/C19H18FN3O/c1-24-12-11-21-18-13-17(14-7-9-16(20)10-8-14)22-19(23-18)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.0541 kcal/mol

Physical Properties
Molecular Weight: 323.371 g/mol	logS: -5.91392	SlogP: 4.008	Reactive groups: 0

Topological Properties
Globularity: 0.0173752	Sterimol/B1: 2.41915	Sterimol/B2: 3.53212	Sterimol/B3: 6.10586
Sterimol/B4: 8.84937	Sterimol/L: 15.3972

Surface and Volume Properties
Accessible surface: 599.477	Positive charged surface: 370.346	Negative charged surface: 218.886	Volume: 314
Hydrophobic surface: 534.839	Hydrophilic surface: 64.638

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.