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MMsINC code: MMs02838144

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₄

SMILES:

ClC1=C(Nc2ccc(cc2)C(O)=O)C(=O)N(C1=O)c1ccccc1CC

InChI:

InChI=1/C19H15ClN2O4/c1-2-11-5-3-4-6-14(11)22-17(23)15(20)16(18(22)24)21-13-9-7-12(8-10-13)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)=107.441 kcal/mol

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

Topological Properties
Globularity: 0.108665	Sterimol/B1: 2.2778	Sterimol/B2: 3.35671	Sterimol/B3: 6.86055
Sterimol/B4: 7.26324	Sterimol/L: 15.6931

Surface and Volume Properties
Accessible surface: 589.947	Positive charged surface: 283.45	Negative charged surface: 306.497	Volume: 326.375
Hydrophobic surface: 405.654	Hydrophilic surface: 184.293

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

MMs02838145
PUBCHEM-ZINC01989554