MMsINC Database Search


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

MMsINC code: MMs00008094

Type: Neutral
Formula: C₂₃H₂₄O₄

SMILES:

O(C)c1cc(OC)ccc1C(O)c1ccc(OCc2ccc(cc2)C)cc1

InChI:

InChI=1/C23H24O4/c1-16-4-6-17(7-5-16)15-27-19-10-8-18(9-11-19)23(24)21-13-12-20(25-2)14-22(21)26-3/h4-14,23-24H,15H2,1-3H3/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.145 kcal/mol

Physical Properties
Molecular Weight: 364.441 g/mol	logS: -5.31676	SlogP: 5.03482	Reactive groups: 0

Topological Properties
Globularity: 0.0926657	Sterimol/B1: 3.39218	Sterimol/B2: 4.60893	Sterimol/B3: 5.53651
Sterimol/B4: 5.88145	Sterimol/L: 19.2978

Surface and Volume Properties
Accessible surface: 667.81	Positive charged surface: 438.863	Negative charged surface: 228.947	Volume: 366.875
Hydrophobic surface: 611.537	Hydrophilic surface: 56.273

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.