MMsINC Database Search


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MMsINC code: MMs02272291

Type: Neutral
Formula: C₁₇H₂₀O₄

SMILES:

O(C)c1cc(cc(OC)c1O)CCc1ccc(OC)cc1

InChI:

InChI=1/C17H20O4/c1-19-14-8-6-12(7-9-14)4-5-13-10-15(20-2)17(18)16(11-13)21-3/h6-11,18H,4-5H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.211 kcal/mol

Physical Properties
Molecular Weight: 288.343 g/mol	logS: -3.66537	SlogP: 3.20314	Reactive groups: 0

Topological Properties
Globularity: 0.022031	Sterimol/B1: 2.34988	Sterimol/B2: 3.11328	Sterimol/B3: 5.62874
Sterimol/B4: 6.1934	Sterimol/L: 16.9355

Surface and Volume Properties
Accessible surface: 565.755	Positive charged surface: 430.571	Negative charged surface: 135.184	Volume: 288.875
Hydrophobic surface: 490.776	Hydrophilic surface: 74.979

Pharmacophoric Properties
Hydrogen bond donors: 1	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.