MMsINC Database Search


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MMsINC code: MMs02377985

Type: Neutral
Formula: C₁₁H₁₄O₄

SMILES:

O(C)c1cc(OC)c(C)c(O)c1C(=O)C

InChI:

InChI=1/C11H14O4/c1-6-8(14-3)5-9(15-4)10(7(2)12)11(6)13/h5,13H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5747 kcal/mol

Physical Properties
Molecular Weight: 210.229 g/mol	logS: -1.59643	SlogP: 1.92042	Reactive groups: 0

Topological Properties
Globularity: 0.0849461	Sterimol/B1: 2.15878	Sterimol/B2: 2.96213	Sterimol/B3: 3.38515
Sterimol/B4: 8.7181	Sterimol/L: 12.1306

Surface and Volume Properties
Accessible surface: 420.686	Positive charged surface: 315.753	Negative charged surface: 104.934	Volume: 204.25
Hydrophobic surface: 342.804	Hydrophilic surface: 77.882

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.