MMsINC Database Search


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MMsINC code: MMs03685429

Type: Neutral
Formula: C₁₁H₁₆O₄

SMILES:

O(C)c1c(O)c(CC)c(C)c(O)c1OC

InChI:

InChI=1/C11H16O4/c1-5-7-6(2)8(12)10(14-3)11(15-4)9(7)13/h12-13H,5H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.6798 kcal/mol

Physical Properties
Molecular Weight: 212.245 g/mol	logS: -1.5979	SlogP: 1.98579	Reactive groups: 0

Topological Properties
Globularity: 0.0966422	Sterimol/B1: 2.52668	Sterimol/B2: 3.52384	Sterimol/B3: 3.79732
Sterimol/B4: 5.62257	Sterimol/L: 11.8995

Surface and Volume Properties
Accessible surface: 415.624	Positive charged surface: 320.797	Negative charged surface: 94.8272	Volume: 208.875
Hydrophobic surface: 317.237	Hydrophilic surface: 98.387

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.