MMsINC Database Search


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MMsINC code: MMs01278936

Type: Neutral
Formula: C₂₁H₂₅FN₂O₂

SMILES:

Fc1ccccc1C(=O)NC(C(C)C)C(=O)Nc1ccccc1C(C)C

InChI:

InChI=1/C21H25FN2O2/c1-13(2)15-9-6-8-12-18(15)23-21(26)19(14(3)4)24-20(25)16-10-5-7-11-17(16)22/h5-14,19H,1-4H3,(H,23,26)(H,24,25)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.728 kcal/mol

Physical Properties
Molecular Weight: 356.441 g/mol	logS: -5.74408	SlogP: 4.3422	Reactive groups: 0

Topological Properties
Globularity: 0.115661	Sterimol/B1: 2.1938	Sterimol/B2: 4.73388	Sterimol/B3: 4.93989
Sterimol/B4: 6.47166	Sterimol/L: 16.8161

Surface and Volume Properties
Accessible surface: 626.227	Positive charged surface: 369.961	Negative charged surface: 256.266	Volume: 353.625
Hydrophobic surface: 512.897	Hydrophilic surface: 113.33

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.