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MMsINC code: MMs00914301

Type: Neutral
Formula: C₁₁H₁₀O₄

SMILES:

o1c2c(cc(cc2)COC)cc1C(O)=O

InChI:

InChI=1/C11H10O4/c1-14-6-7-2-3-9-8(4-7)5-10(15-9)11(12)13/h2-5H,6H2,1H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.0406 kcal/mol

Physical Properties
Molecular Weight: 206.197 g/mol	logS: -3.06873	SlogP: 2.5438	Reactive groups: 0

Topological Properties
Globularity: 0.025808	Sterimol/B1: 2.49012	Sterimol/B2: 3.05585	Sterimol/B3: 3.31341
Sterimol/B4: 5.12519	Sterimol/L: 14.571

Surface and Volume Properties
Accessible surface: 412.563	Positive charged surface: 270.347	Negative charged surface: 137.904	Volume: 189.625
Hydrophobic surface: 283.891	Hydrophilic surface: 128.672

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs00914302
CHEMDIV-ZINC03653536