MMsINC Database Search


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MMsINC code: MMs00735640

Type: Neutral
Formula: C₂₆H₃₈O₂

SMILES:

O(CCCCCCOc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C26H38O2/c1-25(2,3)21-11-15-23(16-12-21)27-19-9-7-8-10-20-28-24-17-13-22(14-18-24)26(4,5)6/h11-18H,7-10,19-20H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.785 kcal/mol

Physical Properties
Molecular Weight: 382.588 g/mol	logS: -8.12622	SlogP: 7.2998	Reactive groups: 0

Topological Properties
Globularity: 0.013418	Sterimol/B1: 2.3752	Sterimol/B2: 4.09328	Sterimol/B3: 4.72799
Sterimol/B4: 4.87471	Sterimol/L: 25.5173

Surface and Volume Properties
Accessible surface: 780.788	Positive charged surface: 540.505	Negative charged surface: 240.283	Volume: 429.25
Hydrophobic surface: 661.543	Hydrophilic surface: 119.245

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: 0

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Ions/Tautomers related molecules: no related molecules available.