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MMsINC code: MMs02830554

Type: Neutral
Formula: C₁₈H₁₂Cl₂N₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(O)=O)C(=O)N(C1=O)c1cc(Cl)c(cc1)C

InChI:

InChI=1/C18H12Cl2N2O4/c1-9-5-6-12(8-13(9)19)22-16(23)14(20)15(17(22)24)21-11-4-2-3-10(7-11)18(25)26/h2-8,21H,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.962 kcal/mol

Physical Properties
Molecular Weight: 391.21 g/mol	logS: -5.87429	SlogP: 3.89122	Reactive groups: 1

Topological Properties
Globularity: 0.0390169	Sterimol/B1: 3.13828	Sterimol/B2: 3.54492	Sterimol/B3: 3.78842
Sterimol/B4: 7.97235	Sterimol/L: 17.9949

Surface and Volume Properties
Accessible surface: 593.368	Positive charged surface: 255.33	Negative charged surface: 338.039	Volume: 322.5
Hydrophobic surface: 421.813	Hydrophilic surface: 171.555

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02830555
PUBCHEM-ZINC01924850