MMsINC Database Search


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MMsINC code: MMs00886887

Type: Neutral
Formula: C₂₃H₁₉FN₂O₂

SMILES:

Fc1ccccc1C(=O)N1CC(=O)Nc2c(cc(cc2)C)C1c1ccccc1

InChI:

InChI=1/C23H19FN2O2/c1-15-11-12-20-18(13-15)22(16-7-3-2-4-8-16)26(14-21(27)25-20)23(28)17-9-5-6-10-19(17)24/h2-13,22H,14H2,1H3,(H,25,27)/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.963 kcal/mol

Physical Properties
Molecular Weight: 374.415 g/mol	logS: -6.08065	SlogP: 4.41352	Reactive groups: 0

Topological Properties
Globularity: 0.477807	Sterimol/B1: 2.45792	Sterimol/B2: 3.80556	Sterimol/B3: 6.89607
Sterimol/B4: 8.90463	Sterimol/L: 12.8339

Surface and Volume Properties
Accessible surface: 583.077	Positive charged surface: 301.367	Negative charged surface: 281.71	Volume: 350.75
Hydrophobic surface: 484.657	Hydrophilic surface: 98.42

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.