MMsINC Database Search


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MMsINC code: MMs02283582

Type: Neutral
Formula: C₁₁H₁₆O₄

SMILES:

O(C)c1c(O)c(CC)c(OC)cc1OC

InChI:

InChI=1/C11H16O4/c1-5-7-8(13-2)6-9(14-3)11(15-4)10(7)12/h6,12H,5H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.1531 kcal/mol

Physical Properties
Molecular Weight: 212.245 g/mol	logS: -1.84976	SlogP: 1.98037	Reactive groups: 0

Topological Properties
Globularity: 0.0989378	Sterimol/B1: 2.15931	Sterimol/B2: 3.47951	Sterimol/B3: 4.14593
Sterimol/B4: 6.18859	Sterimol/L: 11.602

Surface and Volume Properties
Accessible surface: 428.626	Positive charged surface: 359.642	Negative charged surface: 68.9837	Volume: 210
Hydrophobic surface: 355.061	Hydrophilic surface: 73.565

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.