MMsINC Database Search


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MMsINC code: MMs02879235

Type: Neutral
Formula: C₁₆H₁₆O₄

SMILES:

O(C)c1cc(OC)c(OC)cc1C(=O)c1ccccc1

InChI:

InChI=1/C16H16O4/c1-18-13-10-15(20-3)14(19-2)9-12(13)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)=102.59 kcal/mol

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

Topological Properties
Globularity: 0.134923	Sterimol/B1: 2.26364	Sterimol/B2: 4.19544	Sterimol/B3: 4.29388
Sterimol/B4: 9.24708	Sterimol/L: 14.2288

Surface and Volume Properties
Accessible surface: 514.804	Positive charged surface: 369.998	Negative charged surface: 144.806	Volume: 265.25
Hydrophobic surface: 462.288	Hydrophilic surface: 52.516

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.