MMsINC Database Search


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

MMsINC code: MMs00745608

Type: Neutral
Formula: C₂₄H₃₂O₄

SMILES:

O(CCOCCOc1ccc(cc1)C(C)(C)C)c1ccc(cc1OC)CC=C

InChI:

InChI=1/C24H32O4/c1-6-7-19-8-13-22(23(18-19)25-5)28-17-15-26-14-16-27-21-11-9-20(10-12-21)24(2,3)4/h6,8-13,18H,1,7,14-17H2,2-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.724 kcal/mol

Physical Properties
Molecular Weight: 384.516 g/mol	logS: -6.96419	SlogP: 5.19557	Reactive groups: 0

Topological Properties
Globularity: 0.082235	Sterimol/B1: 3.07232	Sterimol/B2: 5.44375	Sterimol/B3: 6.59138
Sterimol/B4: 6.95758	Sterimol/L: 19.4948

Surface and Volume Properties
Accessible surface: 766.785	Positive charged surface: 558.846	Negative charged surface: 207.939	Volume: 407.125
Hydrophobic surface: 645.958	Hydrophilic surface: 120.827

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.