MMsINC Database Search


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MMsINC code: MMs02329024

Type: Neutral
Formula: C₂₀H₂₆O₃

SMILES:

O(CCOCCOc1ccccc1)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C20H26O3/c1-20(2,3)17-9-11-19(12-10-17)23-16-14-21-13-15-22-18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.5263 kcal/mol

Physical Properties
Molecular Weight: 314.425 g/mol	logS: -5.4422	SlogP: 4.4585	Reactive groups: 0

Topological Properties
Globularity: 0.0654241	Sterimol/B1: 2.94637	Sterimol/B2: 4.84628	Sterimol/B3: 4.9382
Sterimol/B4: 5.39001	Sterimol/L: 18.2103

Surface and Volume Properties
Accessible surface: 646.393	Positive charged surface: 441.102	Negative charged surface: 205.291	Volume: 332
Hydrophobic surface: 579.228	Hydrophilic surface: 67.165

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.