MMsINC Database Search


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

MMsINC code: MMs02852257

Type: Neutral
Formula: C₁₁H₁₀O₃

SMILES:

o1c2c(cc1C(=O)C)cc(OC)cc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.9914 kcal/mol

Physical Properties
Molecular Weight: 190.198 g/mol	logS: -3.34578	SlogP: 2.644	Reactive groups: 0

Topological Properties
Globularity: 0.0120225	Sterimol/B1: 2.37497	Sterimol/B2: 2.37573	Sterimol/B3: 3.29958
Sterimol/B4: 4.62846	Sterimol/L: 14.1685

Surface and Volume Properties
Accessible surface: 394.727	Positive charged surface: 253.794	Negative charged surface: 136.171	Volume: 183
Hydrophobic surface: 337.483	Hydrophilic surface: 57.244

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.