MMsINC Database Search


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MMsINC code: MMs02672764

Type: Neutral
Formula: C₁₆H₁₆O₄

SMILES:

O(C)c1cc(OC)cc(OC)c1C(=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2367 kcal/mol

Physical Properties
Molecular Weight: 272.3 g/mol	logS: -3.60883	SlogP: 2.9434	Reactive groups: 0

Topological Properties
Globularity: 0.144476	Sterimol/B1: 3.48578	Sterimol/B2: 5.17532	Sterimol/B3: 5.48853
Sterimol/B4: 6.16058	Sterimol/L: 14.397

Surface and Volume Properties
Accessible surface: 515.249	Positive charged surface: 369.78	Negative charged surface: 145.469	Volume: 265.125
Hydrophobic surface: 467.086	Hydrophilic surface: 48.163

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.