MMsINC Database Search


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MMsINC code: MMs02165257

Type: Neutral
Formula: C₂₀H₂₆O₄

SMILES:

O(C)c1ccc(OC)cc1CCCCc1cc(OC)ccc1OC

InChI:

InChI=1/C20H26O4/c1-21-17-9-11-19(23-3)15(13-17)7-5-6-8-16-14-18(22-2)10-12-20(16)24-4/h9-14H,5-8H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1823 kcal/mol

Physical Properties
Molecular Weight: 330.424 g/mol	logS: -4.48124	SlogP: 4.28634	Reactive groups: 0

Topological Properties
Globularity: 0.0243879	Sterimol/B1: 2.48832	Sterimol/B2: 2.81873	Sterimol/B3: 3.42597
Sterimol/B4: 8.20085	Sterimol/L: 18.3751

Surface and Volume Properties
Accessible surface: 650.605	Positive charged surface: 524.913	Negative charged surface: 125.692	Volume: 340.625
Hydrophobic surface: 626.111	Hydrophilic surface: 24.494

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: 1

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Ions/Tautomers related molecules: no related molecules available.