MMsINC Database Search


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

MMsINC code: MMs02326195

Type: Neutral
Formula: C₂₄H₂₆O₂

SMILES:

O(CCOc1ccc(cc1)C(C)(C)C)c1ccccc1-c1ccccc1

InChI:

InChI=1/C24H26O2/c1-24(2,3)20-13-15-21(16-14-20)25-17-18-26-23-12-8-7-11-22(23)19-9-5-4-6-10-19/h4-16H,17-18H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.093 kcal/mol

Physical Properties
Molecular Weight: 346.47 g/mol	logS: -7.72594	SlogP: 6.1089	Reactive groups: 0

Topological Properties
Globularity: 0.05432	Sterimol/B1: 2.63939	Sterimol/B2: 4.37683	Sterimol/B3: 4.75563
Sterimol/B4: 6.854	Sterimol/L: 18.1249

Surface and Volume Properties
Accessible surface: 653.761	Positive charged surface: 407.441	Negative charged surface: 241.315	Volume: 371.125
Hydrophobic surface: 597.41	Hydrophilic surface: 56.351

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.