MMsINC Database Search


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

MMsINC code: MMs00752372

Type: Neutral
Formula: C₁₉H₂₄O₂

SMILES:

O(CCCCCOc1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C19H24O2/c1-16-6-10-18(11-7-16)20-14-4-3-5-15-21-19-12-8-17(2)9-13-19/h6-13H,3-5,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.552 kcal/mol

Physical Properties
Molecular Weight: 284.399 g/mol	logS: -4.83313	SlogP: 4.93154	Reactive groups: 0

Topological Properties
Globularity: 0.00749908	Sterimol/B1: 2.51224	Sterimol/B2: 2.5142	Sterimol/B3: 2.60178
Sterimol/B4: 5.29291	Sterimol/L: 21.7415

Surface and Volume Properties
Accessible surface: 622.943	Positive charged surface: 410.351	Negative charged surface: 212.592	Volume: 312
Hydrophobic surface: 610.054	Hydrophilic surface: 12.889

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.