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MMsINC code: MMs00043303

Type: Neutral
Formula: C₁₆H₁₀Cl₂N₂O₂

SMILES:

Clc1ccccc1-c1nn(c(Cl)c1C(O)=O)-c1ccccc1

InChI:

InChI=1/C16H10Cl2N2O2/c17-12-9-5-4-8-11(12)14-13(16(21)22)15(18)20(19-14)10-6-2-1-3-7-10/h1-9H,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7409 kcal/mol

Physical Properties
Molecular Weight: 333.174 g/mol	logS: -5.68321	SlogP: 4.5443	Reactive groups: 0

Topological Properties
Globularity: 0.0623037	Sterimol/B1: 2.82801	Sterimol/B2: 3.51745	Sterimol/B3: 4.11346
Sterimol/B4: 6.26362	Sterimol/L: 15.1731

Surface and Volume Properties
Accessible surface: 527.431	Positive charged surface: 208.681	Negative charged surface: 318.75	Volume: 283.375
Hydrophobic surface: 439.658	Hydrophilic surface: 87.773

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00043304
APOLLO-ZINC00129904