MMsINC Database Search


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

MMsINC code: MMs01728030

Type: Neutral
Formula: C₁₀H₁₀O₄

SMILES:

O(C(=O)C)c1ccccc1C(OC)=O

InChI:

InChI=1/C10H10O4/c1-7(11)14-9-6-4-3-5-8(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)=51.3388 kcal/mol

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

Topological Properties
Globularity: 0.0581444	Sterimol/B1: 2.00863	Sterimol/B2: 2.59889	Sterimol/B3: 3.12453
Sterimol/B4: 8.86016	Sterimol/L: 10.7996

Surface and Volume Properties
Accessible surface: 397.575	Positive charged surface: 256.931	Negative charged surface: 140.645	Volume: 181.125
Hydrophobic surface: 334.321	Hydrophilic surface: 63.254

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.