MMsINC Database Search


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MMsINC code: MMs02250049

Type: Neutral
Formula: C₂₀H₂₆O₂

SMILES:

O(C)c1ccc(cc1)CCCCCCc1ccc(OC)cc1

InChI:

InChI=1/C20H26O2/c1-21-19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(22-2)16-12-18/h9-16H,3-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.7412 kcal/mol

Physical Properties
Molecular Weight: 298.426 g/mol	logS: -6.03782	SlogP: 5.04934	Reactive groups: 0

Topological Properties
Globularity: 0.0261182	Sterimol/B1: 2.34747	Sterimol/B2: 2.68982	Sterimol/B3: 4.10872
Sterimol/B4: 4.89661	Sterimol/L: 22.6489

Surface and Volume Properties
Accessible surface: 639.731	Positive charged surface: 470.584	Negative charged surface: 169.147	Volume: 326.75
Hydrophobic surface: 619.125	Hydrophilic surface: 20.606

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.