MMsINC Database Search


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MMsINC code: MMs02253862

Type: Neutral
Formula: C₁₆H₂₆O

SMILES:

O(Cc1ccc(cc1)C(CC(C)(C)C)(C)C)C

InChI:

InChI=1/C16H26O/c1-15(2,3)12-16(4,5)14-9-7-13(8-10-14)11-17-6/h7-10H,11-12H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=172.445 kcal/mol

Physical Properties
Molecular Weight: 234.383 g/mol	logS: -5.58154	SlogP: 4.8132	Reactive groups: 0

Topological Properties
Globularity: 0.0852146	Sterimol/B1: 2.00857	Sterimol/B2: 3.87225	Sterimol/B3: 4.27984
Sterimol/B4: 5.26061	Sterimol/L: 15.1537

Surface and Volume Properties
Accessible surface: 487.907	Positive charged surface: 350.059	Negative charged surface: 137.848	Volume: 266.625
Hydrophobic surface: 398.481	Hydrophilic surface: 89.426

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.