MMsINC Database Search


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

MMsINC code: MMs01624319

Type: Neutral
Formula: C₂₃H₁₈O₅

SMILES:

O(C(=O)COc1ccc(cc1)C(=O)c1ccccc1)c1ccc(cc1)C(=O)C

InChI:

InChI=1/C23H18O5/c1-16(24)17-7-13-21(14-8-17)28-22(25)15-27-20-11-9-19(10-12-20)23(26)18-5-3-2-4-6-18/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.028 kcal/mol

Physical Properties
Molecular Weight: 374.392 g/mol	logS: -5.96084	SlogP: 4.1046	Reactive groups: 0

Topological Properties
Globularity: 0.0188255	Sterimol/B1: 2.46927	Sterimol/B2: 4.05	Sterimol/B3: 4.58725
Sterimol/B4: 4.76181	Sterimol/L: 23.0128

Surface and Volume Properties
Accessible surface: 669.938	Positive charged surface: 357.592	Negative charged surface: 312.346	Volume: 355.375
Hydrophobic surface: 547.378	Hydrophilic surface: 122.56

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.