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MMsINC code: MMs02838169

Type: Ionized
Formula: C₁₉H₁₄ClN₂O₄-

SMILES:

ClC1=C(Nc2ccc(cc2)C(=O)[O-])C(=O)N(C1=O)c1cc(C)c(cc1)C

InChI:

InChI=1/C19H15ClN2O4/c1-10-3-8-14(9-11(10)2)22-17(23)15(20)16(18(22)24)21-13-6-4-12(5-7-13)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)=82.2405 kcal/mol

Physical Properties
Molecular Weight: 369.784 g/mol	logS: -6.18782	SlogP: 2.21154	Reactive groups: 1

Topological Properties
Globularity: 0.0173268	Sterimol/B1: 2.53934	Sterimol/B2: 2.97498	Sterimol/B3: 3.01495
Sterimol/B4: 8.7866	Sterimol/L: 17.4624

Surface and Volume Properties
Accessible surface: 599.109	Positive charged surface: 273.443	Negative charged surface: 325.666	Volume: 327.375
Hydrophobic surface: 440.329	Hydrophilic surface: 158.78

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:

MMs02838168
PUBCHEM-ZINC01989573