MMsINC Database Search


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MMsINC code: MMs02757308

Type: Neutral
Formula: C₁₆H₁₆O₄

SMILES:

O1c2cc(ccc2OC1)CCc1cc(O)c(OC)cc1

InChI:

InChI=1/C16H16O4/c1-18-14-6-4-11(8-13(14)17)2-3-12-5-7-15-16(9-12)20-10-19-15/h4-9,17H,2-3,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.1513 kcal/mol

Physical Properties
Molecular Weight: 272.3 g/mol	logS: -3.51971	SlogP: 2.91464	Reactive groups: 0

Topological Properties
Globularity: 0.019819	Sterimol/B1: 2.39588	Sterimol/B2: 3.15507	Sterimol/B3: 3.56226
Sterimol/B4: 5.20322	Sterimol/L: 17.7083

Surface and Volume Properties
Accessible surface: 519.852	Positive charged surface: 355.657	Negative charged surface: 164.195	Volume: 261.25
Hydrophobic surface: 405.623	Hydrophilic surface: 114.229

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.