MMsINC Database Search


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

MMsINC code: MMs00020699

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

O(C(=O)C)c1ccc(cc1)-c1ccc(OC(=O)C)cc1

InChI:

InChI=1/C16H14O4/c1-11(17)19-15-7-3-13(4-8-15)14-5-9-16(10-6-14)20-12(2)18/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8405 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -4.5183	SlogP: 3.2042	Reactive groups: 0

Topological Properties
Globularity: 0.0287741	Sterimol/B1: 2.60734	Sterimol/B2: 3.37101	Sterimol/B3: 3.69818
Sterimol/B4: 3.73475	Sterimol/L: 17.904

Surface and Volume Properties
Accessible surface: 525.169	Positive charged surface: 272.65	Negative charged surface: 241.448	Volume: 257.5
Hydrophobic surface: 437.342	Hydrophilic surface: 87.827

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.