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MMsINC code: MMs00051644

Type: Neutral
Formula: C₁₅H₁₁Cl₂NO₃

SMILES:

Clc1cc(Cl)ccc1NC(=O)c1ccccc1CC(O)=O

InChI:

InChI=1/C15H11Cl2NO3/c16-10-5-6-13(12(17)8-10)18-15(21)11-4-2-1-3-9(11)7-14(19)20/h1-6,8H,7H2,(H,18,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5513 kcal/mol

Physical Properties
Molecular Weight: 324.163 g/mol	logS: -4.85432	SlogP: 3.87277	Reactive groups: 0

Topological Properties
Globularity: 0.0519638	Sterimol/B1: 2.52983	Sterimol/B2: 3.4292	Sterimol/B3: 3.82459
Sterimol/B4: 7.01932	Sterimol/L: 15.1432

Surface and Volume Properties
Accessible surface: 518.362	Positive charged surface: 222.544	Negative charged surface: 295.818	Volume: 270.875
Hydrophobic surface: 415.623	Hydrophilic surface: 102.739

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

MMs00051645
APOLLO-ZINC02381043