MMsINC Database Search


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MMsINC code: MMs01628761

Type: Neutral
Formula: C₁₇H₁₃FN₂O

SMILES:

Fc1ccccc1CNC(=O)c1nc2c(cc1)cccc2

InChI:

InChI=1/C17H13FN2O/c18-14-7-3-1-6-13(14)11-19-17(21)16-10-9-12-5-2-4-8-15(12)20-16/h1-10H,11H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.1108 kcal/mol

Physical Properties
Molecular Weight: 280.302 g/mol	logS: -4.33535	SlogP: 3.5703	Reactive groups: 0

Topological Properties
Globularity: 0.0490183	Sterimol/B1: 3.37446	Sterimol/B2: 3.42701	Sterimol/B3: 3.93467
Sterimol/B4: 6.46862	Sterimol/L: 15.229

Surface and Volume Properties
Accessible surface: 520.866	Positive charged surface: 272.021	Negative charged surface: 243.309	Volume: 265.125
Hydrophobic surface: 451.911	Hydrophilic surface: 68.955

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.