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MMsINC code: MMs02829264

Type: Neutral
Formula: C₁₁H₅Cl₂NO₄

SMILES:

ClC1=C(Cl)C(=O)N(C1=O)c1ccc(cc1)C(O)=O

InChI:

InChI=1/C11H5Cl2NO4/c12-7-8(13)10(16)14(9(7)15)6-3-1-5(2-4-6)11(17)18/h1-4H,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.4239 kcal/mol

Physical Properties
Molecular Weight: 286.07 g/mol	logS: -4.15401	SlogP: 2.165	Reactive groups: 1

Topological Properties
Globularity: 7.68403e-07	Sterimol/B1: 2.0979	Sterimol/B2: 2.09835	Sterimol/B3: 2.63296
Sterimol/B4: 5.35023	Sterimol/L: 14.3191

Surface and Volume Properties
Accessible surface: 436.467	Positive charged surface: 152.528	Negative charged surface: 283.939	Volume: 216.125
Hydrophobic surface: 270.617	Hydrophilic surface: 165.85

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	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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Ions/Tautomers related molecules

MMs02829265
PUBCHEM-ZINC01906865