MMsINC Database Search


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

MMsINC code: MMs03368872

Type: Neutral
Formula: C₂₄H₂₀O₂

SMILES:

O=C(C\C(=C\C(=O)c1ccccc1)\c1ccc(cc1)C)c1ccccc1

InChI:

InChI=1/C24H20O2/c1-18-12-14-19(15-13-18)22(16-23(25)20-8-4-2-5-9-20)17-24(26)21-10-6-3-7-11-21/h2-16H,17H2,1H3/b22-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.358 kcal/mol

Physical Properties
Molecular Weight: 340.422 g/mol	logS: -6.42819	SlogP: 5.53432	Reactive groups: 1

Topological Properties
Globularity: 0.0946747	Sterimol/B1: 3.52472	Sterimol/B2: 3.67014	Sterimol/B3: 3.9898
Sterimol/B4: 11.1945	Sterimol/L: 15.9383

Surface and Volume Properties
Accessible surface: 631.356	Positive charged surface: 345.923	Negative charged surface: 285.433	Volume: 352.125
Hydrophobic surface: 601.977	Hydrophilic surface: 29.379

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.