MMsINC Database Search


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

MMsINC code: MMs02261929

Type: Neutral
Formula: C₂₃H₂₀O₄

SMILES:

O1c2c(ccc(OC)c2)C(=O)C(C1c1ccccc1)c1ccc(OC)cc1

InChI:

InChI=1/C23H20O4/c1-25-17-10-8-15(9-11-17)21-22(24)19-13-12-18(26-2)14-20(19)27-23(21)16-6-4-3-5-7-16/h3-14,21,23H,1-2H3/t21-,23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.6 kcal/mol

Physical Properties
Molecular Weight: 360.409 g/mol	logS: -5.4616	SlogP: 4.8995	Reactive groups: 0

Topological Properties
Globularity: 0.186537	Sterimol/B1: 2.45637	Sterimol/B2: 3.31119	Sterimol/B3: 5.64833
Sterimol/B4: 10.3652	Sterimol/L: 15.2837

Surface and Volume Properties
Accessible surface: 603.301	Positive charged surface: 396.201	Negative charged surface: 207.1	Volume: 348.125
Hydrophobic surface: 542.134	Hydrophilic surface: 61.167

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.