MMsINC Database Search


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MMsINC code: MMs00733388

Type: Neutral
Formula: C₁₇H₂₀O₂

SMILES:

O(CCCOc1ccccc1C)c1ccccc1C

InChI:

InChI=1/C17H20O2/c1-14-8-3-5-10-16(14)18-12-7-13-19-17-11-6-4-9-15(17)2/h3-6,8-11H,7,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.0814 kcal/mol

Physical Properties
Molecular Weight: 256.345 g/mol	logS: -3.80269	SlogP: 4.15134	Reactive groups: 0

Topological Properties
Globularity: 0.0104968	Sterimol/B1: 1.969	Sterimol/B2: 2.37867	Sterimol/B3: 2.51252
Sterimol/B4: 6.83649	Sterimol/L: 17.0166

Surface and Volume Properties
Accessible surface: 550.622	Positive charged surface: 355.333	Negative charged surface: 195.289	Volume: 275.125
Hydrophobic surface: 548.646	Hydrophilic surface: 1.976

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.