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MMsINC code: MMs02832245

Type: Neutral
Formula: C₁₈H₁₃ClN₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(O)=O)C(=O)N(C1=O)c1ccc(cc1)C

InChI:

InChI=1/C18H13ClN2O4/c1-10-5-7-13(8-6-10)21-16(22)14(19)15(17(21)23)20-12-4-2-3-11(9-12)18(24)25/h2-9,20H,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.2313 kcal/mol

Physical Properties
Molecular Weight: 356.765 g/mol	logS: -5.45345	SlogP: 3.23782	Reactive groups: 1

Topological Properties
Globularity: 0.0382907	Sterimol/B1: 2.55388	Sterimol/B2: 2.94641	Sterimol/B3: 3.80118
Sterimol/B4: 7.99231	Sterimol/L: 17.7948

Surface and Volume Properties
Accessible surface: 573.648	Positive charged surface: 275.197	Negative charged surface: 298.451	Volume: 307.5
Hydrophobic surface: 403.92	Hydrophilic surface: 169.728

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

MMs02832246
PUBCHEM-ZINC01935018