MMsINC Database Search


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

MMsINC code: MMs00698336

Type: Neutral
Formula: C₂₅H₁₈O₃

SMILES:

O1c2c(cc3c(occ3-c3ccccc3)c2)C(C)=C(Cc2ccccc2)C1=O

InChI:

InChI=1/C25H18O3/c1-16-19-13-21-22(18-10-6-3-7-11-18)15-27-23(21)14-24(19)28-25(26)20(16)12-17-8-4-2-5-9-17/h2-11,13-15H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.787 kcal/mol

Physical Properties
Molecular Weight: 366.416 g/mol	logS: -8.81207	SlogP: 6.03497	Reactive groups: 0

Topological Properties
Globularity: 0.0678051	Sterimol/B1: 2.54405	Sterimol/B2: 3.81936	Sterimol/B3: 5.25288
Sterimol/B4: 6.84686	Sterimol/L: 17.1871

Surface and Volume Properties
Accessible surface: 613.328	Positive charged surface: 317.53	Negative charged surface: 290.803	Volume: 356.625
Hydrophobic surface: 552.78	Hydrophilic surface: 60.548

Pharmacophoric Properties
Hydrogen bond donors: 0	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.