MMsINC Database Search


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

MMsINC code: MMs00733544

Type: Neutral
Formula: C₂₅H₃₆O₂

SMILES:

O(CCCCCOc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C25H36O2/c1-24(2,3)20-10-14-22(15-11-20)26-18-8-7-9-19-27-23-16-12-21(13-17-23)25(4,5)6/h10-17H,7-9,18-19H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.633 kcal/mol

Physical Properties
Molecular Weight: 368.561 g/mol	logS: -7.92445	SlogP: 6.9097	Reactive groups: 0

Topological Properties
Globularity: 0.0158619	Sterimol/B1: 2.37515	Sterimol/B2: 3.90885	Sterimol/B3: 4.87408
Sterimol/B4: 4.89077	Sterimol/L: 23.775

Surface and Volume Properties
Accessible surface: 744.355	Positive charged surface: 512.053	Negative charged surface: 232.302	Volume: 411.125
Hydrophobic surface: 629.117	Hydrophilic surface: 115.238

Pharmacophoric Properties
Hydrogen bond donors: 0	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.