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MMsINC code: MMs02838174

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(O)=O)C(=O)N(C1=O)c1ccccc1CC

InChI:

InChI=1/C19H15ClN2O4/c1-2-11-6-3-4-9-14(11)22-17(23)15(20)16(18(22)24)21-13-8-5-7-12(10-13)19(25)26/h3-10,21H,2H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.374 kcal/mol

Physical Properties
Molecular Weight: 370.792 g/mol	logS: -5.65522	SlogP: 3.49177	Reactive groups: 1

Topological Properties
Globularity: 0.107585	Sterimol/B1: 2.36656	Sterimol/B2: 2.5601	Sterimol/B3: 7.03551
Sterimol/B4: 7.45772	Sterimol/L: 16.668

Surface and Volume Properties
Accessible surface: 590.569	Positive charged surface: 283.51	Negative charged surface: 307.059	Volume: 327.75
Hydrophobic surface: 406.352	Hydrophilic surface: 184.217

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02838175
PUBCHEM-ZINC01989576