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MMsINC code: MMs00967540

Type: Neutral
Formula: C₁₈H₁₄Cl₂N₂O₃

SMILES:

Clc1ccc(N(C(=O)Cc2c3cc(Cl)ccc3[nH]c2C(O)=O)C)cc1

InChI:

InChI=1/C18H14Cl2N2O3/c1-22(12-5-2-10(19)3-6-12)16(23)9-14-13-8-11(20)4-7-15(13)21-17(14)18(24)25/h2-8,21H,9H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6758 kcal/mol

Physical Properties
Molecular Weight: 377.227 g/mol	logS: -5.19115	SlogP: 4.37837	Reactive groups: 0

Topological Properties
Globularity: 0.149614	Sterimol/B1: 2.01384	Sterimol/B2: 5.98025	Sterimol/B3: 6.40825
Sterimol/B4: 6.92388	Sterimol/L: 15.6229

Surface and Volume Properties
Accessible surface: 593.233	Positive charged surface: 280.762	Negative charged surface: 309.312	Volume: 322.5
Hydrophobic surface: 467.056	Hydrophilic surface: 126.177

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

MMs00967541
CHEMDIV-ZINC04920452