MMsINC Database Search


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MMsINC code: MMs01466823

Type: Neutral
Formula: C₂₀H₂₃FN₂O₂

SMILES:

Fc1ccccc1C(=O)NC(C(C)C)C(=O)Nc1ccc(cc1C)C

InChI:

InChI=1/C20H23FN2O2/c1-12(2)18(23-19(24)15-7-5-6-8-16(15)21)20(25)22-17-10-9-13(3)11-14(17)4/h5-12,18H,1-4H3,(H,22,25)(H,23,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.33 kcal/mol

Physical Properties
Molecular Weight: 342.414 g/mol	logS: -5.18756	SlogP: 3.83564	Reactive groups: 0

Topological Properties
Globularity: 0.0665986	Sterimol/B1: 2.87164	Sterimol/B2: 3.4145	Sterimol/B3: 4.23171
Sterimol/B4: 7.23202	Sterimol/L: 17.7767

Surface and Volume Properties
Accessible surface: 616.917	Positive charged surface: 356.417	Negative charged surface: 260.5	Volume: 338.625
Hydrophobic surface: 539.606	Hydrophilic surface: 77.311

Pharmacophoric Properties
Hydrogen bond donors: 2	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.