MMsINC Database Search


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

MMsINC code: MMs02998569

Type: Neutral
Formula: C₂₃H₁₇O₂+

SMILES:

[o+]1c(cc(cc1-c1ccccc1)-c1ccc(O)cc1)-c1ccccc1

InChI:

InChI=1/C23H16O2/c24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)25-23(16-20)19-9-5-2-6-10-19/h1-16H/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.815 kcal/mol

Physical Properties
Molecular Weight: 325.387 g/mol	logS: -8.11257	SlogP: 6.2673	Reactive groups: 0

Topological Properties
Globularity: 0.00140488	Sterimol/B1: 2.10701	Sterimol/B2: 2.21266	Sterimol/B3: 2.54714
Sterimol/B4: 11.7747	Sterimol/L: 15.0605

Surface and Volume Properties
Accessible surface: 592.366	Positive charged surface: 277.018	Negative charged surface: 293.205	Volume: 326.25
Hydrophobic surface: 522.747	Hydrophilic surface: 69.619

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 1
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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.