MMsINC Database Search


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

MMsINC code: MMs02401730

Type: Neutral
Formula: C₂₆H₂₀O₂

SMILES:

O1c2c(cccc2)C(O)(c2c1cccc2)c1ccccc1Cc1ccccc1

InChI:

InChI=1/C26H20O2/c27-26(21-13-5-4-12-20(21)18-19-10-2-1-3-11-19)22-14-6-8-16-24(22)28-25-17-9-7-15-23(25)26/h1-17,27H,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.13 kcal/mol

Physical Properties
Molecular Weight: 364.444 g/mol	logS: -7.35703	SlogP: 5.97877	Reactive groups: 0

Topological Properties
Globularity: 0.272043	Sterimol/B1: 2.74488	Sterimol/B2: 4.95588	Sterimol/B3: 7.07034
Sterimol/B4: 7.17119	Sterimol/L: 14.3733

Surface and Volume Properties
Accessible surface: 594.57	Positive charged surface: 326.217	Negative charged surface: 268.353	Volume: 360.75
Hydrophobic surface: 578.087	Hydrophilic surface: 16.483

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.