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MMsINC code: MMs02838175

Type: Ionized
Formula: C₁₉H₁₄ClN₂O₄-

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)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.7322 kcal/mol

Physical Properties
Molecular Weight: 369.784 g/mol	logS: -5.91567	SlogP: 2.15707	Reactive groups: 1

Topological Properties
Globularity: 0.0702235	Sterimol/B1: 2.37656	Sterimol/B2: 3.42651	Sterimol/B3: 6.0336
Sterimol/B4: 7.31392	Sterimol/L: 16.6213

Surface and Volume Properties
Accessible surface: 587.583	Positive charged surface: 264.219	Negative charged surface: 323.364	Volume: 325.5
Hydrophobic surface: 421.087	Hydrophilic surface: 166.496

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

search links for this molecule:

Parent related molecule:

MMs02838174
PUBCHEM-ZINC01989576