MMsINC Database Search


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MMsINC code: MMs00752340

Type: Neutral
Formula: C₂₀H₂₆O₄

SMILES:

O(CCCCCCOc1ccc(OC)cc1)c1ccc(OC)cc1

InChI:

InChI=1/C20H26O4/c1-21-17-7-11-19(12-8-17)23-15-5-3-4-6-16-24-20-13-9-18(22-2)10-14-20/h7-14H,3-6,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.0521 kcal/mol

Physical Properties
Molecular Weight: 330.424 g/mol	logS: -4.18782	SlogP: 4.722	Reactive groups: 0

Topological Properties
Globularity: 0.00635271	Sterimol/B1: 2.37459	Sterimol/B2: 2.38005	Sterimol/B3: 3.26248
Sterimol/B4: 5.90997	Sterimol/L: 24.5831

Surface and Volume Properties
Accessible surface: 677.075	Positive charged surface: 503.944	Negative charged surface: 173.131	Volume: 346.625
Hydrophobic surface: 643.88	Hydrophilic surface: 33.195

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0

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Ions/Tautomers related molecules: no related molecules available.