MMsINC Database Search


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

MMsINC code: MMs00650887

Type: Neutral
Formula: C₂₆H₂₄N₂O₄

SMILES:

O(C)c1cc(ccc1OC)-c1nc2c(cccc2)c(c1)C(=O)Nc1ccc(OCC)cc1

InChI:

InChI=1/C26H24N2O4/c1-4-32-19-12-10-18(11-13-19)27-26(29)21-16-23(28-22-8-6-5-7-20(21)22)17-9-14-24(30-2)25(15-17)31-3/h5-16H,4H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.674 kcal/mol

Physical Properties
Molecular Weight: 428.488 g/mol	logS: -6.81694	SlogP: 5.57	Reactive groups: 0

Topological Properties
Globularity: 0.0142071	Sterimol/B1: 2.63354	Sterimol/B2: 3.65878	Sterimol/B3: 5.60148
Sterimol/B4: 9.11083	Sterimol/L: 21.495

Surface and Volume Properties
Accessible surface: 746.423	Positive charged surface: 492.723	Negative charged surface: 243.407	Volume: 412.875
Hydrophobic surface: 651.056	Hydrophilic surface: 95.367

Pharmacophoric Properties
Hydrogen bond donors: 1	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.