MMsINC Database Search


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MMsINC code: MMs01067921

Type: Neutral
Formula: C₂₂H₂₁FN₂O₂

SMILES:

Fc1ccc(cc1)-c1n(CC(=O)NCc2ccccc2)c(C)c(c1)C(=O)C

InChI:

InChI=1/C22H21FN2O2/c1-15-20(16(2)26)12-21(18-8-10-19(23)11-9-18)25(15)14-22(27)24-13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.7307 kcal/mol

Physical Properties
Molecular Weight: 364.42 g/mol	logS: -4.9784	SlogP: 4.65442	Reactive groups: 0

Topological Properties
Globularity: 0.037749	Sterimol/B1: 2.27567	Sterimol/B2: 2.49834	Sterimol/B3: 4.1186
Sterimol/B4: 10.4685	Sterimol/L: 17.7136

Surface and Volume Properties
Accessible surface: 634.763	Positive charged surface: 345.518	Negative charged surface: 289.245	Volume: 353.75
Hydrophobic surface: 557.418	Hydrophilic surface: 77.345

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.