MMsINC Database Search


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MMsINC code: MMs00745213

Type: Neutral
Formula: C₂₀H₂₆O₄

SMILES:

O(C(C)C)c1ccccc1OCCCCOc1ccc(OC)cc1

InChI:

InChI=1/C20H26O4/c1-16(2)24-20-9-5-4-8-19(20)23-15-7-6-14-22-18-12-10-17(21-3)11-13-18/h4-5,8-13,16H,6-7,14-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.2211 kcal/mol

Physical Properties
Molecular Weight: 330.424 g/mol	logS: -4.4387	SlogP: 4.7204	Reactive groups: 0

Topological Properties
Globularity: 0.0146327	Sterimol/B1: 2.06072	Sterimol/B2: 2.46647	Sterimol/B3: 4.11253
Sterimol/B4: 8.80462	Sterimol/L: 20.0998

Surface and Volume Properties
Accessible surface: 675.384	Positive charged surface: 475.541	Negative charged surface: 199.844	Volume: 343.875
Hydrophobic surface: 609.248	Hydrophilic surface: 66.136

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.