MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02824244

Type: Neutral
Formula: C₁₁H₁₀O₃

SMILES:

o1c2c(cccc2)c(C)c1C(OC)=O

InChI:

InChI=1/C11H10O3/c1-7-8-5-3-4-6-9(8)14-10(7)11(12)13-2/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.9299 kcal/mol

Physical Properties
Molecular Weight: 190.198 g/mol	logS: -3.52533	SlogP: 2.52782	Reactive groups: 0

Topological Properties
Globularity: 0.0148473	Sterimol/B1: 2.0482	Sterimol/B2: 2.3841	Sterimol/B3: 2.51162
Sterimol/B4: 6.8227	Sterimol/L: 12.6926

Surface and Volume Properties
Accessible surface: 392.535	Positive charged surface: 252.921	Negative charged surface: 133.687	Volume: 183.375
Hydrophobic surface: 342.974	Hydrophilic surface: 49.561

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.