MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02834102

Type: Ionized
Formula: C₁₉H₁₄ClN₂O₄-

SMILES:

ClC1=C(Nc2ccc(cc2)C(=O)[O-])C(=O)N(C1=O)c1cc(ccc1C)C

InChI:

InChI=1/C19H15ClN2O4/c1-10-3-4-11(2)14(9-10)22-17(23)15(20)16(18(22)24)21-13-7-5-12(6-8-13)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)=89.4716 kcal/mol

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

Topological Properties
Globularity: 0.0324147	Sterimol/B1: 2.01459	Sterimol/B2: 3.22357	Sterimol/B3: 3.2375
Sterimol/B4: 9.95842	Sterimol/L: 16.5031

Surface and Volume Properties
Accessible surface: 594.457	Positive charged surface: 271.515	Negative charged surface: 322.942	Volume: 327.25
Hydrophobic surface: 443.473	Hydrophilic surface: 150.984

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:

MMs02834101
PUBCHEM-ZINC01948430