MMsINC Database Search


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MMsINC code: MMs01964166

Type: Neutral
Formula: C₁₉H₁₈FN₃O

SMILES:

Fc1ccccc1C(=O)NCCc1[nH]c(nc1)-c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.7833 kcal/mol

Physical Properties
Molecular Weight: 323.371 g/mol	logS: -5.57208	SlogP: 3.49669	Reactive groups: 0

Topological Properties
Globularity: 0.0366885	Sterimol/B1: 2.57873	Sterimol/B2: 3.85042	Sterimol/B3: 4.00784
Sterimol/B4: 6.06774	Sterimol/L: 20.7287

Surface and Volume Properties
Accessible surface: 609.644	Positive charged surface: 372.738	Negative charged surface: 236.906	Volume: 313.5
Hydrophobic surface: 539.325	Hydrophilic surface: 70.319

Pharmacophoric Properties
Hydrogen bond donors: 3	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.