MMsINC Database Search


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

MMsINC code: MMs02881119

Type: Neutral
Formula: C₂₈H₂₆O₂

SMILES:

OC(C(O)(c1ccccc1)c1ccccc1)(c1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C28H26O2/c1-21-13-17-25(18-14-21)28(30,26-19-15-22(2)16-20-26)27(29,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20,29-30H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=258.465 kcal/mol

Physical Properties
Molecular Weight: 394.514 g/mol	logS: -7.2049	SlogP: 6.09844	Reactive groups: 0

Topological Properties
Globularity: 0.311463	Sterimol/B1: 4.46483	Sterimol/B2: 4.59261	Sterimol/B3: 5.43744
Sterimol/B4: 6.99959	Sterimol/L: 14.6422

Surface and Volume Properties
Accessible surface: 618.042	Positive charged surface: 391.145	Negative charged surface: 226.897	Volume: 396.625
Hydrophobic surface: 573.516	Hydrophilic surface: 44.526

Pharmacophoric Properties
Hydrogen bond donors: 2	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.