MMsINC Database Search


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

MMsINC code: MMs00093544

Type: Neutral
Formula: C₁₃H₁₀O₃

SMILES:

O1c2c(cc3c(occ3)c2C)C(=CC1=O)C

InChI:

InChI=1/C13H10O3/c1-7-5-11(14)16-13-8(2)12-9(3-4-15-12)6-10(7)13/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.4247 kcal/mol

Physical Properties
Molecular Weight: 214.22 g/mol	logS: -4.7072	SlogP: 3.06352	Reactive groups: 0

Topological Properties
Globularity: 0.01901	Sterimol/B1: 2.37757	Sterimol/B2: 2.51194	Sterimol/B3: 2.75034
Sterimol/B4: 6.64618	Sterimol/L: 11.7976

Surface and Volume Properties
Accessible surface: 406.389	Positive charged surface: 215.197	Negative charged surface: 185.348	Volume: 200
Hydrophobic surface: 339.566	Hydrophilic surface: 66.823

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.