MMsINC Database Search


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

MMsINC code: MMs03786538

Type: Neutral
Formula: C₂₆H₁₈O₄

SMILES:

O1C(c2c3c(ccc4CCc(c34)cc2)C1=O)(c1ccc(O)cc1)c1ccc(O)cc1

InChI:

InChI=1/C26H18O4/c27-19-9-5-17(6-10-19)26(18-7-11-20(28)12-8-18)22-14-4-16-2-1-15-3-13-21(25(29)30-26)24(22)23(15)16/h3-14,27-28H,1-2H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.498 kcal/mol

Physical Properties
Molecular Weight: 394.426 g/mol	logS: -7.42459	SlogP: 5.12334	Reactive groups: 0

Topological Properties
Globularity: 0.280504	Sterimol/B1: 3.48443	Sterimol/B2: 3.75342	Sterimol/B3: 5.89844
Sterimol/B4: 8.7887	Sterimol/L: 14.2513

Surface and Volume Properties
Accessible surface: 605.952	Positive charged surface: 353.801	Negative charged surface: 244.383	Volume: 361.75
Hydrophobic surface: 463.713	Hydrophilic surface: 142.239

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.