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MMsINC code: MMs03584892

Type: Neutral
Formula: C₁₆H₁₄ClFN₂O₃

SMILES:

Clc1cccc(F)c1\C=N\NC(=O)COc1ccc(OC)cc1

InChI:

InChI=1/C16H14ClFN2O3/c1-22-11-5-7-12(8-6-11)23-10-16(21)20-19-9-13-14(17)3-2-4-15(13)18/h2-9H,10H2,1H3,(H,20,21)/b19-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.566 kcal/mol

Physical Properties
Molecular Weight: 336.75 g/mol	logS: -4.69462	SlogP: 3.0168	Reactive groups: 0

Topological Properties
Globularity: 0.00298037	Sterimol/B1: 2.37533	Sterimol/B2: 2.37916	Sterimol/B3: 3.01234
Sterimol/B4: 5.65597	Sterimol/L: 20.5393

Surface and Volume Properties
Accessible surface: 584.629	Positive charged surface: 343.831	Negative charged surface: 240.799	Volume: 295.5
Hydrophobic surface: 491.083	Hydrophilic surface: 93.546

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: no related molecules available.