MMsINC Database Search


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MMsINC code: MMs00735718

Type: Neutral
Formula: C₂₀H₂₆O₂

SMILES:

O(CCCCCCOc1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C20H26O2/c1-17-7-11-19(12-8-17)21-15-5-3-4-6-16-22-20-13-9-18(2)10-14-20/h7-14H,3-6,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.7324 kcal/mol

Physical Properties
Molecular Weight: 298.426 g/mol	logS: -5.0349	SlogP: 5.32164	Reactive groups: 0

Topological Properties
Globularity: 0.00693709	Sterimol/B1: 2.37932	Sterimol/B2: 2.51228	Sterimol/B3: 3.5383
Sterimol/B4: 4.78488	Sterimol/L: 23.2506

Surface and Volume Properties
Accessible surface: 656.357	Positive charged surface: 435.314	Negative charged surface: 221.043	Volume: 330.125
Hydrophobic surface: 643.689	Hydrophilic surface: 12.668

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.