MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03494086

Type: Neutral
Formula: C₁₅H₁₃Cl₃O₂

SMILES:

ClC(Cl)(Cl)C(c1ccc(OC)cc1)c1ccc(O)cc1

InChI:

InChI=1/C15H13Cl3O2/c1-20-13-8-4-11(5-9-13)14(15(16,17)18)10-2-6-12(19)7-3-10/h2-9,14,19H,1H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.961 kcal/mol

Physical Properties
Molecular Weight: 331.626 g/mol	logS: -5.15856	SlogP: 5.3228	Reactive groups: 0

Topological Properties
Globularity: 0.143454	Sterimol/B1: 2.89257	Sterimol/B2: 3.54459	Sterimol/B3: 3.93943
Sterimol/B4: 7.34295	Sterimol/L: 14.074

Surface and Volume Properties
Accessible surface: 500.354	Positive charged surface: 248.177	Negative charged surface: 252.176	Volume: 280.875
Hydrophobic surface: 301.252	Hydrophilic surface: 199.102

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.