MMsINC Database Search


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MMsINC code: MMs02375390

Type: Neutral
Formula: C₁₇H₂₆O₂

SMILES:

O1CC(COC1(C)c1ccccc1)(CCCC)CC

InChI:

InChI=1/C17H26O2/c1-4-6-12-17(5-2)13-18-16(3,19-14-17)15-10-8-7-9-11-15/h7-11H,4-6,12-14H2,1-3H3/t16-,17-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.4547 kcal/mol

Physical Properties
Molecular Weight: 262.393 g/mol	logS: -4.84192	SlogP: 4.8042	Reactive groups: 0

Topological Properties
Globularity: 0.114187	Sterimol/B1: 2.55798	Sterimol/B2: 2.80922	Sterimol/B3: 4.78187
Sterimol/B4: 5.82009	Sterimol/L: 16.4043

Surface and Volume Properties
Accessible surface: 520.467	Positive charged surface: 360.21	Negative charged surface: 160.258	Volume: 287.125
Hydrophobic surface: 458.414	Hydrophilic surface: 62.053

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.