MMsINC Database Search


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

MMsINC code: MMs02906593

Type: Neutral
Formula: C₂₃H₃₀O₃

SMILES:

O(C(=O)CCCOc1ccc(cc1)C(CC)(C)C)c1cc(C)c(cc1)C

InChI:

InChI=1/C23H30O3/c1-6-23(4,5)19-10-13-20(14-11-19)25-15-7-8-22(24)26-21-12-9-17(2)18(3)16-21/h9-14,16H,6-8,15H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.061 kcal/mol

Physical Properties
Molecular Weight: 354.49 g/mol	logS: -7.14209	SlogP: 5.75564	Reactive groups: 0

Topological Properties
Globularity: 0.0284003	Sterimol/B1: 2.40375	Sterimol/B2: 2.85365	Sterimol/B3: 4.44019
Sterimol/B4: 5.39681	Sterimol/L: 22.3912

Surface and Volume Properties
Accessible surface: 697.355	Positive charged surface: 450.018	Negative charged surface: 247.336	Volume: 379.5
Hydrophobic surface: 603.172	Hydrophilic surface: 94.183

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.