MMsINC Database Search


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MMsINC code: MMs02358159

Type: Neutral
Formula: C₁₆H₂₄O₄

SMILES:

O(C)c1c(ccc(OC)c1OC)C1(O)CCCCCC1

InChI:

InChI=1/C16H24O4/c1-18-13-9-8-12(14(19-2)15(13)20-3)16(17)10-6-4-5-7-11-16/h8-9,17H,4-7,10-11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.009 kcal/mol

Physical Properties
Molecular Weight: 280.364 g/mol	logS: -3.2934	SlogP: 3.5657	Reactive groups: 0

Topological Properties
Globularity: 0.133017	Sterimol/B1: 2.00691	Sterimol/B2: 3.40749	Sterimol/B3: 3.73761
Sterimol/B4: 7.54461	Sterimol/L: 14.0601

Surface and Volume Properties
Accessible surface: 506.665	Positive charged surface: 428.686	Negative charged surface: 77.979	Volume: 284
Hydrophobic surface: 478.916	Hydrophilic surface: 27.749

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.