MMsINC Database Search


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

MMsINC code: MMs02263297

Type: Neutral
Formula: C₂₆H₁₈O₃

SMILES:

Oc1c2c3c(ccc2)C(=O)c2cc(cc4c2-c3c2c(cccc12)C4=O)C(C)(C)C

InChI:

InChI=1/C26H18O3/c1-26(2,3)12-10-17-21-18(11-12)25(29)16-9-5-7-14-20(16)22(21)19-13(23(14)27)6-4-8-15(19)24(17)28/h4-11,27H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.003 kcal/mol

Physical Properties
Molecular Weight: 378.427 g/mol	logS: -10.0793	SlogP: 5.7519	Reactive groups: 0

Topological Properties
Globularity: 0.0324307	Sterimol/B1: 2.37187	Sterimol/B2: 4.87719	Sterimol/B3: 5.35804
Sterimol/B4: 6.80112	Sterimol/L: 14.8221

Surface and Volume Properties
Accessible surface: 577.072	Positive charged surface: 309.721	Negative charged surface: 234.137	Volume: 353.625
Hydrophobic surface: 416.636	Hydrophilic surface: 160.436

Pharmacophoric Properties
Hydrogen bond donors: 1	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.