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MMsINC code: MMs00735184

Type: Neutral
Formula: C₂₀H₁₇FN₂O₃

SMILES:

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

InChI:

InChI=1/C20H17FN2O3/c21-15-5-1-13(2-6-15)18-11-9-17(10-12-19(24)25)23(18)16-7-3-14(4-8-16)20(22)26/h1-9,11H,10,12H2,(H2,22,26)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.2023 kcal/mol

Physical Properties
Molecular Weight: 352.365 g/mol	logS: -4.55396	SlogP: 3.39947	Reactive groups: 0

Topological Properties
Globularity: 0.0998661	Sterimol/B1: 3.01322	Sterimol/B2: 3.75092	Sterimol/B3: 3.87936
Sterimol/B4: 9.20032	Sterimol/L: 15.4209

Surface and Volume Properties
Accessible surface: 578.663	Positive charged surface: 312.209	Negative charged surface: 266.454	Volume: 323
Hydrophobic surface: 371.161	Hydrophilic surface: 207.502

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

MMs00735185
CHEMBRIDGE-ZINC02884492