MMsINC Database Search


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

MMsINC code: MMs02295231

Type: Neutral
Formula: C₂₄H₂₄O

SMILES:

O=C(c1ccccc1Cc1cc2c(cc1)cccc2)C1CCCCC1

InChI:

InChI=1/C24H24O/c25-24(20-9-2-1-3-10-20)23-13-7-6-12-22(23)17-18-14-15-19-8-4-5-11-21(19)16-18/h4-8,11-16,20H,1-3,9-10,17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.008 kcal/mol

Physical Properties
Molecular Weight: 328.455 g/mol	logS: -7.53857	SlogP: 6.19357	Reactive groups: 0

Topological Properties
Globularity: 0.0765658	Sterimol/B1: 3.26984	Sterimol/B2: 3.93397	Sterimol/B3: 4.49045
Sterimol/B4: 6.07424	Sterimol/L: 18.6396

Surface and Volume Properties
Accessible surface: 600.017	Positive charged surface: 378.237	Negative charged surface: 212.099	Volume: 346.875
Hydrophobic surface: 586.075	Hydrophilic surface: 13.942

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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.