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MMsINC code: MMs03192163

Type: Neutral
Formula: C₁₅H₁₂Cl₂N₂O₃

SMILES:

Clc1cc(Cl)ccc1NC(=O)Nc1ccc(cc1)CC(O)=O

InChI:

InChI=1/C15H12Cl2N2O3/c16-10-3-6-13(12(17)8-10)19-15(22)18-11-4-1-9(2-5-11)7-14(20)21/h1-6,8H,7H2,(H,20,21)(H2,18,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.7221 kcal/mol

Physical Properties
Molecular Weight: 339.178 g/mol	logS: -4.7515	SlogP: 4.26447	Reactive groups: 0

Topological Properties
Globularity: 0.0385126	Sterimol/B1: 3.07851	Sterimol/B2: 3.32073	Sterimol/B3: 3.48966
Sterimol/B4: 5.34214	Sterimol/L: 18.2743

Surface and Volume Properties
Accessible surface: 556.184	Positive charged surface: 263.619	Negative charged surface: 292.565	Volume: 285.375
Hydrophobic surface: 411.719	Hydrophilic surface: 144.465

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs03192164
PUBCHEM-ZINC05042015