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MMsINC code: MMs02112298

Type: Neutral
Formula: C₁₅H₁₄ClFN₂O₄

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)NCC(OCC)=O

InChI:

InChI=1/C15H14ClFN2O4/c1-3-22-11(20)7-18-15(21)12-8(2)23-19-14(12)13-9(16)5-4-6-10(13)17/h4-6H,3,7H2,1-2H3,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.7063 kcal/mol

Physical Properties
Molecular Weight: 340.738 g/mol	logS: -4.65058	SlogP: 2.73542	Reactive groups: 1

Topological Properties
Globularity: 0.108905	Sterimol/B1: 3.85766	Sterimol/B2: 4.75598	Sterimol/B3: 5.34352
Sterimol/B4: 7.19396	Sterimol/L: 14.3109

Surface and Volume Properties
Accessible surface: 570.889	Positive charged surface: 301.987	Negative charged surface: 268.902	Volume: 287.875
Hydrophobic surface: 450.743	Hydrophilic surface: 120.146

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