MMsINC Database Search


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

MMsINC code: MMs03502922

Type: Neutral
Formula: C₂₆H₃₀O

SMILES:

Oc1c(cc(cc1C(C)c1ccccc1)C(C)(C)C)C(C)c1ccccc1

InChI:

InChI=1/C26H30O/c1-18(20-12-8-6-9-13-20)23-16-22(26(3,4)5)17-24(25(23)27)19(2)21-14-10-7-11-15-21/h6-19,27H,1-5H3/t18-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.452 kcal/mol

Physical Properties
Molecular Weight: 358.525 g/mol	logS: -7.67881	SlogP: 6.9933	Reactive groups: 0

Topological Properties
Globularity: 0.184181	Sterimol/B1: 2.08811	Sterimol/B2: 3.75715	Sterimol/B3: 6.86148
Sterimol/B4: 7.21262	Sterimol/L: 16.244

Surface and Volume Properties
Accessible surface: 642.996	Positive charged surface: 397.421	Negative charged surface: 245.575	Volume: 390.5
Hydrophobic surface: 530.409	Hydrophilic surface: 112.587

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.