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MMsINC code: MMs02371701

Type: Ionized
Formula: C₁₀H₆Cl₂NO₂-

SMILES:

Clc1c2c([nH]cc2CC(=O)[O-])cc(Cl)c1

InChI:

InChI=1/C10H7Cl2NO2/c11-6-2-7(12)10-5(1-9(14)15)4-13-8(10)3-6/h2-4,13H,1H2,(H,14,15)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.6004 kcal/mol

Physical Properties
Molecular Weight: 243.069 g/mol	logS: -3.43468	SlogP: 1.76707	Reactive groups: 0

Topological Properties
Globularity: 0.0609982	Sterimol/B1: 2.85131	Sterimol/B2: 3.20543	Sterimol/B3: 3.38643
Sterimol/B4: 5.83869	Sterimol/L: 12.7086

Surface and Volume Properties
Accessible surface: 398.139	Positive charged surface: 137.473	Negative charged surface: 255.82	Volume: 193.875
Hydrophobic surface: 269.157	Hydrophilic surface: 128.982

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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:

MMs02371700
NCID-ZINC01852049