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MMsINC code: MMs02366160

Type: Tautomer
Formula: C₁₅H₁₀Cl₂O₂

SMILES:

Clc1cc(ccc1)C(=O)CC(=O)c1cc(Cl)ccc1

InChI:

InChI=1/C15H10Cl2O2/c16-12-5-1-3-10(7-12)14(18)9-15(19)11-4-2-6-13(17)8-11/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.8142 kcal/mol

Physical Properties
Molecular Weight: 293.149 g/mol	logS: -5.13954	SlogP: 4.4491	Reactive groups: 0

Topological Properties
Globularity: 0.00394387	Sterimol/B1: 2.37456	Sterimol/B2: 2.37555	Sterimol/B3: 3.34877
Sterimol/B4: 5.95445	Sterimol/L: 15.1008

Surface and Volume Properties
Accessible surface: 497.59	Positive charged surface: 190.567	Negative charged surface: 307.023	Volume: 257
Hydrophobic surface: 440.152	Hydrophilic surface: 57.438

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

search links for this molecule:

Parent related molecule:

MMs02366159
NCID-ZINC01758824