MMsINC Database Search


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MMsINC code: MMs01952270

Type: Neutral
Formula: C₂₃H₁₉FN₂O₂

SMILES:

Fc1ccccc1N1CC(=O)N(C(c2ccccc2)C1=O)c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=173.283 kcal/mol

Physical Properties
Molecular Weight: 374.415 g/mol	logS: -6.05706	SlogP: 4.35072	Reactive groups: 0

Topological Properties
Globularity: 0.099772	Sterimol/B1: 2.90342	Sterimol/B2: 3.90244	Sterimol/B3: 4.01848
Sterimol/B4: 8.44246	Sterimol/L: 17.0652

Surface and Volume Properties
Accessible surface: 615.917	Positive charged surface: 339.439	Negative charged surface: 276.477	Volume: 355.125
Hydrophobic surface: 553.657	Hydrophilic surface: 62.26

Pharmacophoric Properties
Hydrogen bond donors: 0	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.