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MMsINC code: MMs01980874

Type: Ionized
Formula: C₁₉H₁₄ClN₂O₄-

SMILES:

ClC1=C(Nc2cc(ccc2)C(=O)[O-])C(=O)N(CCc2ccccc2)C1=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.1514 kcal/mol

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

Topological Properties
Globularity: 0.0336499	Sterimol/B1: 3.3195	Sterimol/B2: 3.46895	Sterimol/B3: 3.56357
Sterimol/B4: 7.98958	Sterimol/L: 18.6263

Surface and Volume Properties
Accessible surface: 607.933	Positive charged surface: 280.435	Negative charged surface: 327.499	Volume: 328.375
Hydrophobic surface: 447.851	Hydrophilic surface: 160.082

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:

MMs01980873
IFLAB-ZINC00938534