MMsINC Database Search


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MMsINC code: MMs02216172

Type: Neutral
Formula: C₁₆H₁₆O₂

SMILES:

O1CCOC(C1c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H16O2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.547 kcal/mol

Physical Properties
Molecular Weight: 240.302 g/mol	logS: -3.56046	SlogP: 3.7068	Reactive groups: 0

Topological Properties
Globularity: 0.277501	Sterimol/B1: 2.514	Sterimol/B2: 3.41949	Sterimol/B3: 4.10379
Sterimol/B4: 7.90721	Sterimol/L: 11.6529

Surface and Volume Properties
Accessible surface: 437.359	Positive charged surface: 288.85	Negative charged surface: 148.509	Volume: 242.25
Hydrophobic surface: 414.76	Hydrophilic surface: 22.599

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.