MMsINC Database Search


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

MMsINC code: MMs02347500

Type: Neutral
Formula: C₁₅H₁₄O₂

SMILES:

O1CCOC1(c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H14O2/c1-3-7-13(8-4-1)15(16-11-12-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.3087 kcal/mol

Physical Properties
Molecular Weight: 226.275 g/mol	logS: -3.61642	SlogP: 3.246	Reactive groups: 0

Topological Properties
Globularity: 0.329303	Sterimol/B1: 2.83357	Sterimol/B2: 3.61549	Sterimol/B3: 3.71849
Sterimol/B4: 6.48894	Sterimol/L: 11.679

Surface and Volume Properties
Accessible surface: 442.385	Positive charged surface: 282.615	Negative charged surface: 159.77	Volume: 231.5
Hydrophobic surface: 437.535	Hydrophilic surface: 4.85

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:

Ions/Tautomers related molecules: no related molecules available.