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MMsINC code: MMs02834036

Type: Ionized
Formula: C₁₉H₁₄ClN₂O₄-

SMILES:

ClC1=C(Nc2cc(ccc2)C(=O)[O-])C(=O)N(C1=O)c1ccc(cc1C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.0366 kcal/mol

Physical Properties
Molecular Weight: 369.784 g/mol	logS: -5.87437	SlogP: 2.21154	Reactive groups: 1

Topological Properties
Globularity: 0.0338533	Sterimol/B1: 2.52568	Sterimol/B2: 3.11703	Sterimol/B3: 3.69796
Sterimol/B4: 8.27812	Sterimol/L: 17.5347

Surface and Volume Properties
Accessible surface: 591.37	Positive charged surface: 273.366	Negative charged surface: 318.003	Volume: 327
Hydrophobic surface: 442.176	Hydrophilic surface: 149.194

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs02834035
PUBCHEM-ZINC01948207