MMsINC Database Search


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

MMsINC code: MMs02771636

Type: Neutral
Formula: C₂₆H₂₀O₂

SMILES:

OC1(c2c(-c3c(cccc3)C1(O)c1ccccc1)cccc2)c1ccccc1

InChI:

InChI=1/C26H20O2/c27-25(19-11-3-1-4-12-19)23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25,28)20-13-5-2-6-14-20/h1-18,27-28H/t25-,26+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=181.44 kcal/mol

Physical Properties
Molecular Weight: 364.444 g/mol	logS: -7.03794	SlogP: 5.462	Reactive groups: 0

Topological Properties
Globularity: 0.402993	Sterimol/B1: 2.47008	Sterimol/B2: 2.77979	Sterimol/B3: 7.72536
Sterimol/B4: 7.89961	Sterimol/L: 14.2085

Surface and Volume Properties
Accessible surface: 560.248	Positive charged surface: 313.722	Negative charged surface: 243.681	Volume: 356.125
Hydrophobic surface: 509.185	Hydrophilic surface: 51.063

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.