MMsINC Database Search


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MMsINC code: MMs03950797

Type: Neutral
Formula: C₁₀H₁₄O₄

SMILES:

Oc1ccc(cc1)C(OC)(OC)OC

InChI:

InChI=1/C10H14O4/c1-12-10(13-2,14-3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.3872 kcal/mol

Physical Properties
Molecular Weight: 198.218 g/mol	logS: -1.53633	SlogP: 1.7532	Reactive groups: 0

Topological Properties
Globularity: 0.219991	Sterimol/B1: 3.16462	Sterimol/B2: 4.42599	Sterimol/B3: 4.58679
Sterimol/B4: 4.8415	Sterimol/L: 11.4135

Surface and Volume Properties
Accessible surface: 393.934	Positive charged surface: 309.961	Negative charged surface: 83.9727	Volume: 192.25
Hydrophobic surface: 325.371	Hydrophilic surface: 68.563

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.