MMsINC Database Search


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MMsINC code: MMs02233281

Type: Neutral
Formula: C₁₁H₁₄O₅

SMILES:

O1CCOC1c1cc(OC)c(O)c(OC)c1

InChI:

InChI=1/C11H14O5/c1-13-8-5-7(11-15-3-4-16-11)6-9(14-2)10(8)12/h5-6,11-12H,3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.1259 kcal/mol

Physical Properties
Molecular Weight: 226.228 g/mol	logS: -1.4121	SlogP: 1.5503	Reactive groups: 0

Topological Properties
Globularity: 0.0529786	Sterimol/B1: 2.0775	Sterimol/B2: 2.83688	Sterimol/B3: 3.00572
Sterimol/B4: 9.25152	Sterimol/L: 11.4771

Surface and Volume Properties
Accessible surface: 444.866	Positive charged surface: 370.907	Negative charged surface: 73.9592	Volume: 207.125
Hydrophobic surface: 360.119	Hydrophilic surface: 84.747

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.