MMsINC Database Search


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

MMsINC code: MMs02240065

Type: Neutral
Formula: C₂₄H₂₂O

SMILES:

o1c(c2c(cc(C)c(c2)C)c1-c1ccc(cc1)C)-c1ccc(cc1)C

InChI:

InChI=1/C24H22O/c1-15-5-9-19(10-6-15)23-21-13-17(3)18(4)14-22(21)24(25-23)20-11-7-16(2)8-12-20/h5-14H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.719 kcal/mol

Physical Properties
Molecular Weight: 326.439 g/mol	logS: -9.54745	SlogP: 7.00048	Reactive groups: 0

Topological Properties
Globularity: 0.0428329	Sterimol/B1: 2.38829	Sterimol/B2: 2.92452	Sterimol/B3: 3.07813
Sterimol/B4: 9.2524	Sterimol/L: 17.3473

Surface and Volume Properties
Accessible surface: 619.89	Positive charged surface: 363.694	Negative charged surface: 246.748	Volume: 347.875
Hydrophobic surface: 614.467	Hydrophilic surface: 5.423

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.