MMsINC Database Search


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

MMsINC code: MMs00514094

Type: Neutral
Formula: C₂₄H₂₀O₅

SMILES:

o1c2c(cc(O)cc2-c2ccc(OC)cc2)c(C(OCC)=O)c1-c1ccccc1

InChI:

InChI=1/C24H20O5/c1-3-28-24(26)21-20-14-17(25)13-19(15-9-11-18(27-2)12-10-15)23(20)29-22(21)16-7-5-4-6-8-16/h4-14,25H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.986 kcal/mol

Physical Properties
Molecular Weight: 388.419 g/mol	logS: -8.04914	SlogP: 5.6577	Reactive groups: 0

Topological Properties
Globularity: 0.0556136	Sterimol/B1: 2.04817	Sterimol/B2: 5.15411	Sterimol/B3: 5.84643
Sterimol/B4: 8.01931	Sterimol/L: 17.8964

Surface and Volume Properties
Accessible surface: 670.225	Positive charged surface: 411.417	Negative charged surface: 248.103	Volume: 370.25
Hydrophobic surface: 552.784	Hydrophilic surface: 117.441

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.