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MMsINC code: MMs02893620

Type: Ionized
Formula: C₁₆H₈Cl₂NO₂-

SMILES:

Clc1ccccc1-c1nc2c(cccc2Cl)c(c1)C(=O)[O-]

InChI:

InChI=1/C16H9Cl2NO2/c17-12-6-2-1-4-10(12)14-8-11(16(20)21)9-5-3-7-13(18)15(9)19-14/h1-8H,(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.1386 kcal/mol

Physical Properties
Molecular Weight: 317.151 g/mol	logS: -6.06703	SlogP: 3.5721	Reactive groups: 0

Topological Properties
Globularity: 0.0753833	Sterimol/B1: 2.31815	Sterimol/B2: 5.1225	Sterimol/B3: 5.54755
Sterimol/B4: 5.96375	Sterimol/L: 14.3086

Surface and Volume Properties
Accessible surface: 500.477	Positive charged surface: 181.899	Negative charged surface: 310.885	Volume: 267.875
Hydrophobic surface: 411.201	Hydrophilic surface: 89.276

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02893619
PUBCHEM-ZINC02526022