MMsINC Database Search


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MMsINC code: MMs02309650

Type: Neutral
Formula: C₁₄H₁₄O₂

SMILES:

O1CCCOC1c1cc2c(cc1)cccc2

InChI:

InChI=1/C14H14O2/c1-2-5-12-10-13(7-6-11(12)4-1)14-15-8-3-9-16-14/h1-2,4-7,10,14H,3,8-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.43 kcal/mol

Physical Properties
Molecular Weight: 214.264 g/mol	logS: -3.75294	SlogP: 3.3708	Reactive groups: 0

Topological Properties
Globularity: 0.0341679	Sterimol/B1: 2.85287	Sterimol/B2: 3.16862	Sterimol/B3: 4.14175
Sterimol/B4: 4.26313	Sterimol/L: 14.1413

Surface and Volume Properties
Accessible surface: 438.209	Positive charged surface: 282.186	Negative charged surface: 144.952	Volume: 215.375
Hydrophobic surface: 427.782	Hydrophilic surface: 10.427

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

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Ions/Tautomers related molecules: no related molecules available.