MMsINC Database Search


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MMsINC code: MMs01720150

Type: Neutral
Formula: C₁₉H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)C(NC(=O)c1c(noc1C)-c1ccccc1)C

InChI:

InChI=1/C19H17FN2O2/c1-12(14-8-10-16(20)11-9-14)21-19(23)17-13(2)24-22-18(17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,23)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3926 kcal/mol

Physical Properties
Molecular Weight: 324.355 g/mol	logS: -5.27602	SlogP: 4.37562	Reactive groups: 0

Topological Properties
Globularity: 0.139057	Sterimol/B1: 2.25125	Sterimol/B2: 3.92263	Sterimol/B3: 4.17703
Sterimol/B4: 10.2412	Sterimol/L: 13.3535

Surface and Volume Properties
Accessible surface: 560.84	Positive charged surface: 273.219	Negative charged surface: 287.622	Volume: 310.5
Hydrophobic surface: 486.494	Hydrophilic surface: 74.346

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.