MMsINC Database Search


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

MMsINC code: MMs02550193

Type: Neutral
Formula: C₂₀H₁₆Cl₂O

SMILES:

Clc1ccc(cc1)C(O)(c1ccc(cc1)C)c1ccc(Cl)cc1

InChI:

InChI=1/C20H16Cl2O/c1-14-2-4-15(5-3-14)20(23,16-6-10-18(21)11-7-16)17-8-12-19(22)13-9-17/h2-13,23H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.282 kcal/mol

Physical Properties
Molecular Weight: 343.253 g/mol	logS: -6.6342	SlogP: 5.89752	Reactive groups: 0

Topological Properties
Globularity: 0.27568	Sterimol/B1: 3.43445	Sterimol/B2: 4.64865	Sterimol/B3: 6.88745
Sterimol/B4: 7.01173	Sterimol/L: 12.4181

Surface and Volume Properties
Accessible surface: 561.948	Positive charged surface: 243.691	Negative charged surface: 318.257	Volume: 319.375
Hydrophobic surface: 540.943	Hydrophilic surface: 21.005

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.