MMsINC Database Search


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MMsINC code: MMs03364772

Type: Neutral
Formula: C₁₀H₁₄O₄

SMILES:

O(C(CO)CO)c1ccccc1OC

InChI:

InChI=1/C10H14O4/c1-13-9-4-2-3-5-10(9)14-8(6-11)7-12/h2-5,8,11-12H,6-7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3263 kcal/mol

Physical Properties
Molecular Weight: 198.218 g/mol	logS: -1.08056	SlogP: 0.4272	Reactive groups: 0

Topological Properties
Globularity: 0.115825	Sterimol/B1: 2.56866	Sterimol/B2: 3.62524	Sterimol/B3: 3.66533
Sterimol/B4: 7.22493	Sterimol/L: 10.607

Surface and Volume Properties
Accessible surface: 414.265	Positive charged surface: 320.454	Negative charged surface: 93.8111	Volume: 188.375
Hydrophobic surface: 314.928	Hydrophilic surface: 99.337

Pharmacophoric Properties
Hydrogen bond donors: 2	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.