MMsINC Database Search


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MMsINC code: MMs00523941

Type: Neutral
Formula: C₂₃H₂₁FN₂O₂

SMILES:

Fc1ccccc1CCC(=O)Nc1ccccc1C(=O)Nc1cc(ccc1)C

InChI:

InChI=1/C23H21FN2O2/c1-16-7-6-9-18(15-16)25-23(28)19-10-3-5-12-21(19)26-22(27)14-13-17-8-2-4-11-20(17)24/h2-12,15H,13-14H2,1H3,(H,25,28)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.153 kcal/mol

Physical Properties
Molecular Weight: 376.431 g/mol	logS: -6.03715	SlogP: 4.95769	Reactive groups: 0

Topological Properties
Globularity: 0.0359448	Sterimol/B1: 2.56806	Sterimol/B2: 3.13978	Sterimol/B3: 4.45951
Sterimol/B4: 9.67173	Sterimol/L: 18.4788

Surface and Volume Properties
Accessible surface: 667.435	Positive charged surface: 379.698	Negative charged surface: 287.737	Volume: 362
Hydrophobic surface: 610.239	Hydrophilic surface: 57.196

Pharmacophoric Properties
Hydrogen bond donors: 2	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.