MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02375389

Type: Neutral
Formula: C₁₇H₂₆O₂

SMILES:

O(C(CC(C)C)CC(C)C)C(=O)Cc1ccccc1

InChI:

InChI=1/C17H26O2/c1-13(2)10-16(11-14(3)4)19-17(18)12-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.211 kcal/mol

Physical Properties
Molecular Weight: 262.393 g/mol	logS: -4.94692	SlogP: 4.23307	Reactive groups: 1

Topological Properties
Globularity: 0.131857	Sterimol/B1: 2.53078	Sterimol/B2: 3.33741	Sterimol/B3: 4.12011
Sterimol/B4: 8.14287	Sterimol/L: 14.487

Surface and Volume Properties
Accessible surface: 548.926	Positive charged surface: 374.99	Negative charged surface: 173.936	Volume: 291
Hydrophobic surface: 462.918	Hydrophilic surface: 86.008

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.