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MMsINC code: MMs03169821

Type: Neutral
Formula: C₁₄H₁₀Cl₂N₂O₃

SMILES:

Clc1ccc(Cl)cc1NC(=O)Nc1ccccc1C(O)=O

InChI:

InChI=1/C14H10Cl2N2O3/c15-8-5-6-10(16)12(7-8)18-14(21)17-11-4-2-1-3-9(11)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0319 kcal/mol

Physical Properties
Molecular Weight: 325.151 g/mol	logS: -4.69003	SlogP: 4.3356	Reactive groups: 0

Topological Properties
Globularity: 0.0448306	Sterimol/B1: 2.97639	Sterimol/B2: 3.4326	Sterimol/B3: 4.35584
Sterimol/B4: 6.32365	Sterimol/L: 14.5751

Surface and Volume Properties
Accessible surface: 520.977	Positive charged surface: 228.296	Negative charged surface: 292.681	Volume: 265.5
Hydrophobic surface: 393.885	Hydrophilic surface: 127.092

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

MMs03169822
PUBCHEM-ZINC04776731