MMsINC Database Search


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MMsINC code: MMs00735764

Type: Neutral
Formula: C₂₆H₂₆O₂

SMILES:

O(CCCCCCOc1cc2c(cc1)cccc2)c1cc2c(cc1)cccc2

InChI:

InChI=1/C26H26O2/c1(7-17-27-25-15-13-21-9-3-5-11-23(21)19-25)2-8-18-28-26-16-14-22-10-4-6-12-24(22)20-26/h3-6,9-16,19-20H,1-2,7-8,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4404 kcal/mol

Physical Properties
Molecular Weight: 370.492 g/mol	logS: -7.84282	SlogP: 7.0112	Reactive groups: 0

Topological Properties
Globularity: 0.00377997	Sterimol/B1: 2.37496	Sterimol/B2: 2.37566	Sterimol/B3: 3.74424
Sterimol/B4: 4.53255	Sterimol/L: 25.8159

Surface and Volume Properties
Accessible surface: 733.48	Positive charged surface: 435.738	Negative charged surface: 275.6	Volume: 387.625
Hydrophobic surface: 720.271	Hydrophilic surface: 13.209

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

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Ions/Tautomers related molecules: no related molecules available.