MMsINC Database Search


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MMsINC code: MMs00967864

Type: Neutral
Formula: C₁₉H₁₈FN₃O₂

SMILES:

Fc1ccccc1-c1nc(on1)CCC(=O)N(C)c1cc(ccc1)C

InChI:

InChI=1/C19H18FN3O2/c1-13-6-5-7-14(12-13)23(2)18(24)11-10-17-21-19(22-25-17)15-8-3-4-9-16(15)20/h3-9,12H,10-11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.0184 kcal/mol

Physical Properties
Molecular Weight: 339.37 g/mol	logS: -5.76002	SlogP: 3.77969	Reactive groups: 0

Topological Properties
Globularity: 0.0370023	Sterimol/B1: 2.18756	Sterimol/B2: 3.16959	Sterimol/B3: 4.34973
Sterimol/B4: 6.42361	Sterimol/L: 19.272

Surface and Volume Properties
Accessible surface: 611.325	Positive charged surface: 370.112	Negative charged surface: 241.213	Volume: 321.5
Hydrophobic surface: 540.69	Hydrophilic surface: 70.635

Pharmacophoric Properties
Hydrogen bond donors: 0	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.