MMsINC Database Search


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

MMsINC code: MMs02675354

Type: Neutral
Formula: C₁₀H₁₀O₄

SMILES:

O(C(=O)C)c1cc(ccc1)C(OC)=O

InChI:

InChI=1/C10H10O4/c1-7(11)14-9-5-3-4-8(6-9)10(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)=47.8673 kcal/mol

Physical Properties
Molecular Weight: 194.186 g/mol	logS: -2.12013	SlogP: 1.3985	Reactive groups: 0

Topological Properties
Globularity: 0.0279434	Sterimol/B1: 2.5494	Sterimol/B2: 2.705	Sterimol/B3: 3.01961
Sterimol/B4: 6.04159	Sterimol/L: 13.8741

Surface and Volume Properties
Accessible surface: 407.577	Positive charged surface: 257.735	Negative charged surface: 149.842	Volume: 182.5
Hydrophobic surface: 324.35	Hydrophilic surface: 83.227

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.