MMsINC Database Search


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MMsINC code: MMs00455387

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.15 kcal/mol

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

Topological Properties
Globularity: 0.119423	Sterimol/B1: 3.42075	Sterimol/B2: 4.03559	Sterimol/B3: 4.60476
Sterimol/B4: 6.44692	Sterimol/L: 16.6269

Surface and Volume Properties
Accessible surface: 633.386	Positive charged surface: 371	Negative charged surface: 262.385	Volume: 353
Hydrophobic surface: 516.565	Hydrophilic surface: 116.821

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.