MMsINC Database Search


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MMsINC code: MMs03246852

Type: Neutral
Formula: C₂₀H₂₆O

SMILES:

Oc1ccc(cc1C(C)(C)C)-c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C20H26O/c1-19(2,3)16-10-7-14(8-11-16)15-9-12-18(21)17(13-15)20(4,5)6/h7-13,21H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.762 kcal/mol

Physical Properties
Molecular Weight: 282.427 g/mol	logS: -7.17502	SlogP: 5.6542	Reactive groups: 0

Topological Properties
Globularity: 0.0510735	Sterimol/B1: 2.4128	Sterimol/B2: 4.71423	Sterimol/B3: 4.8794
Sterimol/B4: 4.88602	Sterimol/L: 15.2616

Surface and Volume Properties
Accessible surface: 550.666	Positive charged surface: 332.507	Negative charged surface: 207.087	Volume: 312.5
Hydrophobic surface: 416.654	Hydrophilic surface: 134.012

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.