MMsINC Database Search


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

MMsINC code: MMs00143265

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

O1c2c(ccc(OC(=O)C(c3ccccc3)c3ccccc3)c2)C(=CC1=O)C

InChI:

InChI=1/C24H18O4/c1-16-14-22(25)28-21-15-19(12-13-20(16)21)27-24(26)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,23H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.222 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -6.91939	SlogP: 4.7464	Reactive groups: 0

Topological Properties
Globularity: 0.140147	Sterimol/B1: 3.49788	Sterimol/B2: 4.48633	Sterimol/B3: 5.65957
Sterimol/B4: 7.1471	Sterimol/L: 15.5022

Surface and Volume Properties
Accessible surface: 629.545	Positive charged surface: 333.191	Negative charged surface: 296.354	Volume: 355
Hydrophobic surface: 539.428	Hydrophilic surface: 90.117

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.