MMsINC Database Search


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MMsINC code: MMs02250284

Type: Neutral
Formula: C₂₀H₂₆O

SMILES:

Oc1ccc(cc1-c1ccccc1)C(CC(C)(C)C)(C)C

InChI:

InChI=1/C20H26O/c1-19(2,3)14-20(4,5)16-11-12-18(21)17(13-16)15-9-7-6-8-10-15/h6-13,21H,14H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=193.715 kcal/mol

Physical Properties
Molecular Weight: 282.427 g/mol	logS: -7.52977	SlogP: 5.773	Reactive groups: 0

Topological Properties
Globularity: 0.0874995	Sterimol/B1: 2.06699	Sterimol/B2: 3.59025	Sterimol/B3: 5.47696
Sterimol/B4: 5.81408	Sterimol/L: 15.9242

Surface and Volume Properties
Accessible surface: 531.639	Positive charged surface: 327.831	Negative charged surface: 200.613	Volume: 307.5
Hydrophobic surface: 418.976	Hydrophilic surface: 112.663

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.