MMsINC Database Search


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

MMsINC code: MMs02217894

Type: Neutral
Formula: C₂₅H₂₃NO₄

SMILES:

O(C)c1cc(ccc1OC)-c1nc(c2cc(OC)c(OC)cc2c1)-c1ccccc1

InChI:

InChI=1/C25H23NO4/c1-27-21-11-10-17(13-22(21)28-2)20-12-18-14-23(29-3)24(30-4)15-19(18)25(26-20)16-8-6-5-7-9-16/h5-15H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.029 kcal/mol

Physical Properties
Molecular Weight: 401.462 g/mol	logS: -6.9965	SlogP: 5.6032	Reactive groups: 0

Topological Properties
Globularity: 0.0219154	Sterimol/B1: 2.98394	Sterimol/B2: 3.0013	Sterimol/B3: 5.7488
Sterimol/B4: 8.74756	Sterimol/L: 18.2227

Surface and Volume Properties
Accessible surface: 687.718	Positive charged surface: 492.159	Negative charged surface: 177.263	Volume: 392.375
Hydrophobic surface: 635.831	Hydrophilic surface: 51.887

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.