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MMsINC code: MMs02761678

Type: Neutral
Formula: C₁₆H₁₂Cl₂N₂O₄

SMILES:

Clc1ccc(Cl)cc1OCC(=O)N\N=C\c1ccc(cc1)C(O)=O

InChI:

InChI=1/C16H12Cl2N2O4/c17-12-5-6-13(18)14(7-12)24-9-15(21)20-19-8-10-1-3-11(4-2-10)16(22)23/h1-8H,9H2,(H,20,21)(H,22,23)/b19-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.7164 kcal/mol

Physical Properties
Molecular Weight: 367.188 g/mol	logS: -5.05295	SlogP: 3.2207	Reactive groups: 0

Topological Properties
Globularity: 0.00153972	Sterimol/B1: 2.37363	Sterimol/B2: 2.37647	Sterimol/B3: 3.06472
Sterimol/B4: 6.91778	Sterimol/L: 20.2905

Surface and Volume Properties
Accessible surface: 604.258	Positive charged surface: 278.826	Negative charged surface: 325.432	Volume: 308.125
Hydrophobic surface: 424.988	Hydrophilic surface: 179.27

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs02761679
PUBCHEM-ZINC01053243