MMsINC Database Search


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

MMsINC code: MMs03224688

Type: Neutral
Formula: C₂₄H₃₀O₂

SMILES:

Oc1c(cc(cc1C(C)(C)C)\C=C\C(=O)c1ccc(cc1)C)C(C)(C)C

InChI:

InChI=1/C24H30O2/c1-16-8-11-18(12-9-16)21(25)13-10-17-14-19(23(2,3)4)22(26)20(15-17)24(5,6)7/h8-15,26H,1-7H3/b13-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.016 kcal/mol

Physical Properties
Molecular Weight: 350.502 g/mol	logS: -7.48774	SlogP: 6.19172	Reactive groups: 1

Topological Properties
Globularity: 0.0400086	Sterimol/B1: 3.59048	Sterimol/B2: 3.67206	Sterimol/B3: 5.13451
Sterimol/B4: 5.68798	Sterimol/L: 17.9552

Surface and Volume Properties
Accessible surface: 646.845	Positive charged surface: 385.868	Negative charged surface: 260.977	Volume: 379.125
Hydrophobic surface: 503.995	Hydrophilic surface: 142.85

Pharmacophoric Properties
Hydrogen bond donors: 1	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.