MMsINC Database Search


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

MMsINC code: MMs03136714

Type: Neutral
Formula: C₂₈H₂₆O₂

SMILES:

O(c1cc(C)c(cc1)C)c1ccc(cc1)-c1ccc(Oc2cc(C)c(cc2)C)cc1

InChI:

InChI=1/C28H26O2/c1-19-5-11-27(17-21(19)3)29-25-13-7-23(8-14-25)24-9-15-26(16-10-24)30-28-12-6-20(2)22(4)18-28/h5-18H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.022 kcal/mol

Physical Properties
Molecular Weight: 394.514 g/mol	logS: -9.27236	SlogP: 8.17188	Reactive groups: 0

Topological Properties
Globularity: 0.0239401	Sterimol/B1: 2.4027	Sterimol/B2: 3.62409	Sterimol/B3: 3.63226
Sterimol/B4: 6.03947	Sterimol/L: 22.9219

Surface and Volume Properties
Accessible surface: 718.632	Positive charged surface: 402.965	Negative charged surface: 306.654	Volume: 413.625
Hydrophobic surface: 718.632	Hydrophilic surface: 0

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.