MMsINC Database Search


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MMsINC code: MMs02251280

Type: Neutral
Formula: C₁₁H₁₄O₄

SMILES:

O1CCCOC1c1cc(OC)c(O)cc1

InChI:

InChI=1/C11H14O4/c1-13-10-7-8(3-4-9(10)12)11-14-5-2-6-15-11/h3-4,7,11-12H,2,5-6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.4043 kcal/mol

Physical Properties
Molecular Weight: 210.229 g/mol	logS: -1.56349	SlogP: 1.9318	Reactive groups: 0

Topological Properties
Globularity: 0.0516087	Sterimol/B1: 2.09656	Sterimol/B2: 2.95088	Sterimol/B3: 3.0612
Sterimol/B4: 7.07405	Sterimol/L: 12.259

Surface and Volume Properties
Accessible surface: 425.799	Positive charged surface: 333.828	Negative charged surface: 91.9719	Volume: 198.125
Hydrophobic surface: 356.652	Hydrophilic surface: 69.147

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.