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MMsINC code: MMs02936470

Type: Neutral
Formula: C₂₁H₁₂Cl₄N₂O₄

SMILES:

Clc1cc(Cl)ccc1C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cc2Cl)c1)C(O)=O

InChI:

InChI=1/C21H12Cl4N2O4/c22-11-1-3-15(17(24)7-11)19(28)26-13-5-10(21(30)31)6-14(9-13)27-20(29)16-4-2-12(23)8-18(16)25/h1-9H,(H,26,28)(H,27,29)(H,30,31)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.775 kcal/mol

Physical Properties
Molecular Weight: 498.149 g/mol	logS: -8.23142	SlogP: 6.503	Reactive groups: 0

Topological Properties
Globularity: 0.0215958	Sterimol/B1: 2.097	Sterimol/B2: 4.0357	Sterimol/B3: 4.69531
Sterimol/B4: 8.98036	Sterimol/L: 19.4505

Surface and Volume Properties
Accessible surface: 693.635	Positive charged surface: 264.93	Negative charged surface: 428.705	Volume: 390.75
Hydrophobic surface: 549.781	Hydrophilic surface: 143.854

Pharmacophoric Properties
Hydrogen bond donors: 4	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02936471
PUBCHEM-ZINC02845582