MMsINC Database Search


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MMsINC code: MMs00528523

Type: Neutral
Formula: C₂₀H₂₆O

SMILES:

Oc1c(cc(cc1C(C)(C)C)-c1ccccc1)C(C)(C)C

InChI:

InChI=1/C20H26O/c1-19(2,3)16-12-15(14-10-8-7-9-11-14)13-17(18(16)21)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)=118.805 kcal/mol

Physical Properties
Molecular Weight: 282.427 g/mol	logS: -6.86157	SlogP: 5.6542	Reactive groups: 0

Topological Properties
Globularity: 0.109348	Sterimol/B1: 2.42768	Sterimol/B2: 3.61482	Sterimol/B3: 3.63472
Sterimol/B4: 9.77099	Sterimol/L: 12.7312

Surface and Volume Properties
Accessible surface: 541.934	Positive charged surface: 320.72	Negative charged surface: 209.822	Volume: 309
Hydrophobic surface: 429.653	Hydrophilic surface: 112.281

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.