MMsINC Database Search


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MMsINC code: MMs00577408

Type: Neutral
Formula: C₁₉H₁₉FN₂O₂

SMILES:

Fc1ccccc1N1CC(CC1=O)C(=O)Nc1ccc(cc1)CC

InChI:

InChI=1/C19H19FN2O2/c1-2-13-7-9-15(10-8-13)21-19(24)14-11-18(23)22(12-14)17-6-4-3-5-16(17)20/h3-10,14H,2,11-12H2,1H3,(H,21,24)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.6768 kcal/mol

Physical Properties
Molecular Weight: 326.371 g/mol	logS: -4.54877	SlogP: 3.37967	Reactive groups: 0

Topological Properties
Globularity: 0.0519215	Sterimol/B1: 2.988	Sterimol/B2: 4.28556	Sterimol/B3: 4.30378
Sterimol/B4: 5.77219	Sterimol/L: 18.2519

Surface and Volume Properties
Accessible surface: 583.903	Positive charged surface: 353.852	Negative charged surface: 230.051	Volume: 313.625
Hydrophobic surface: 495.799	Hydrophilic surface: 88.104

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.