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MMsINC code: MMs02834568

Type: Neutral
Formula: C₁₈H₁₂Cl₂N₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(O)=O)C(=O)N(Cc2ccc(Cl)cc2)C1=O

InChI:

InChI=1/C18H12Cl2N2O4/c19-12-6-4-10(5-7-12)9-22-16(23)14(20)15(17(22)24)21-13-3-1-2-11(8-13)18(25)26/h1-8,21H,9H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.5971 kcal/mol

Physical Properties
Molecular Weight: 391.21 g/mol	logS: -5.65786	SlogP: 3.8448	Reactive groups: 1

Topological Properties
Globularity: 0.127891	Sterimol/B1: 3.37074	Sterimol/B2: 3.81241	Sterimol/B3: 6.12926
Sterimol/B4: 6.20741	Sterimol/L: 16.5039

Surface and Volume Properties
Accessible surface: 604.452	Positive charged surface: 261.009	Negative charged surface: 343.443	Volume: 325.25
Hydrophobic surface: 429.812	Hydrophilic surface: 174.64

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

MMs02834569
PUBCHEM-ZINC01956316