MMsINC Database Search


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MMsINC code: MMs02160334

Type: Neutral
Formula: C₁₇H₂₀O₄

SMILES:

O(CCCCCOc1ccccc1O)c1ccccc1O

InChI:

InChI=1/C17H20O4/c18-14-8-2-4-10-16(14)20-12-6-1-7-13-21-17-11-5-3-9-15(17)19/h2-5,8-11,18-19H,1,6-7,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0003 kcal/mol

Physical Properties
Molecular Weight: 288.343 g/mol	logS: -3.16139	SlogP: 3.7259	Reactive groups: 0

Topological Properties
Globularity: 0.0088692	Sterimol/B1: 2.32619	Sterimol/B2: 2.47362	Sterimol/B3: 3.30063
Sterimol/B4: 5.16992	Sterimol/L: 19.5181

Surface and Volume Properties
Accessible surface: 590.764	Positive charged surface: 386.84	Negative charged surface: 203.924	Volume: 289.125
Hydrophobic surface: 483.054	Hydrophilic surface: 107.71

Pharmacophoric Properties
Hydrogen bond donors: 2	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.