MMsINC Database Search


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

MMsINC code: MMs00491893

Type: Neutral
Formula: C₁₇H₁₄O₅

SMILES:

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

InChI:

InChI=1/C17H14O5/c1-11(18)21-15-7-3-13(4-8-15)17(20)14-5-9-16(10-6-14)22-12(2)19/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.442 kcal/mol

Physical Properties
Molecular Weight: 298.294 g/mol	logS: -4.16473	SlogP: 2.7682	Reactive groups: 0

Topological Properties
Globularity: 0.0244908	Sterimol/B1: 2.33735	Sterimol/B2: 3.02318	Sterimol/B3: 3.21963
Sterimol/B4: 6.94552	Sterimol/L: 18.0714

Surface and Volume Properties
Accessible surface: 551.421	Positive charged surface: 298.225	Negative charged surface: 253.195	Volume: 276.125
Hydrophobic surface: 429.759	Hydrophilic surface: 121.662

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.