MMsINC Database Search


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MMsINC code: MMs00680022

Type: Neutral
Formula: C₂₂H₂₄F₂N₂O₂

SMILES:

Fc1ccccc1C(=O)N1CCN(CC1)c1cc(C)c(cc1F)C(=O)CCC

InChI:

InChI=1/C22H24F2N2O2/c1-3-6-21(27)17-14-19(24)20(13-15(17)2)25-9-11-26(12-10-25)22(28)16-7-4-5-8-18(16)23/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=161.829 kcal/mol

Physical Properties
Molecular Weight: 386.442 g/mol	logS: -5.38875	SlogP: 4.21842	Reactive groups: 0

Topological Properties
Globularity: 0.0637285	Sterimol/B1: 3.44501	Sterimol/B2: 3.73528	Sterimol/B3: 5.12349
Sterimol/B4: 5.1863	Sterimol/L: 20.1107

Surface and Volume Properties
Accessible surface: 654.733	Positive charged surface: 422.085	Negative charged surface: 232.648	Volume: 364.75
Hydrophobic surface: 570.459	Hydrophilic surface: 84.274

Pharmacophoric Properties
Hydrogen bond donors: 0	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.