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MMsINC code: MMs00220661

Type: Neutral
Formula: C₂₁H₁₉FN₂O₃

SMILES:

Fc1ccc(cc1)-c1n(c(cc1)CCC(O)=O)-c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C21H19FN2O3/c1-14(25)23-17-6-8-18(9-7-17)24-19(11-13-21(26)27)10-12-20(24)15-2-4-16(22)5-3-15/h2-10,12H,11,13H2,1H3,(H,23,25)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.7808 kcal/mol

Physical Properties
Molecular Weight: 366.392 g/mol	logS: -4.51129	SlogP: 4.25897	Reactive groups: 0

Topological Properties
Globularity: 0.103757	Sterimol/B1: 3.0843	Sterimol/B2: 4.22327	Sterimol/B3: 4.56169
Sterimol/B4: 9.7035	Sterimol/L: 14.1292

Surface and Volume Properties
Accessible surface: 616.367	Positive charged surface: 350.84	Negative charged surface: 265.526	Volume: 344.125
Hydrophobic surface: 462.54	Hydrophilic surface: 153.827

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs00220662
ASINEX-ZINC00920207