MMsINC Database Search


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

MMsINC code: MMs01179277

Type: Neutral
Formula: C₂₆H₂₂N₂O

SMILES:

O=C(N(Cc1ccccc1C)c1ccc(cc1)-c1ccccc1)c1ncccc1

InChI:

InChI=1/C26H22N2O/c1-20-9-5-6-12-23(20)19-28(26(29)25-13-7-8-18-27-25)24-16-14-22(15-17-24)21-10-3-2-4-11-21/h2-18H,19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=232.297 kcal/mol

Physical Properties
Molecular Weight: 378.475 g/mol	logS: -6.81186	SlogP: 6.17042	Reactive groups: 0

Topological Properties
Globularity: 0.0727395	Sterimol/B1: 2.8165	Sterimol/B2: 4.96537	Sterimol/B3: 5.13673
Sterimol/B4: 5.96705	Sterimol/L: 18.3984

Surface and Volume Properties
Accessible surface: 635.668	Positive charged surface: 352.698	Negative charged surface: 271.048	Volume: 380.875
Hydrophobic surface: 601.651	Hydrophilic surface: 34.017

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.