MMsINC Database Search


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MMsINC code: MMs00015580

Type: Neutral
Formula: C₂₁H₁₉ClO₂

SMILES:

ClC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccccc1

InChI:

InChI=1/C21H19ClO2/c1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18/h3-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.326 kcal/mol

Physical Properties
Molecular Weight: 338.834 g/mol	logS: -5.76028	SlogP: 5.546	Reactive groups: 0

Topological Properties
Globularity: 0.113038	Sterimol/B1: 2.19164	Sterimol/B2: 3.19483	Sterimol/B3: 4.9997
Sterimol/B4: 9.68587	Sterimol/L: 15.5197

Surface and Volume Properties
Accessible surface: 576.304	Positive charged surface: 369.771	Negative charged surface: 206.534	Volume: 328.5
Hydrophobic surface: 515.8	Hydrophilic surface: 60.504

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.