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MMsINC code: MMs01980872

Type: Ionized
Formula: C₁₉H₁₄ClN₂O₄-

SMILES:

ClC1=C(Nc2ccc(cc2)C(=O)[O-])C(=O)N(CCc2ccccc2)C1=O

InChI:

InChI=1/C19H15ClN2O4/c20-15-16(21-14-8-6-13(7-9-14)19(25)26)18(24)22(17(15)23)11-10-12-4-2-1-3-5-12/h1-9,21H,10-11H2,(H,25,26)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.0353 kcal/mol

Physical Properties
Molecular Weight: 369.784 g/mol	logS: -5.24549	SlogP: 1.63277	Reactive groups: 1

Topological Properties
Globularity: 0.0207771	Sterimol/B1: 2.68747	Sterimol/B2: 3.15352	Sterimol/B3: 3.88841
Sterimol/B4: 8.44656	Sterimol/L: 18.0905

Surface and Volume Properties
Accessible surface: 613.131	Positive charged surface: 280.136	Negative charged surface: 332.995	Volume: 326.375
Hydrophobic surface: 450.881	Hydrophilic surface: 162.25

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:

MMs01980871
IFLAB-ZINC00938533