MMsINC Database Search


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

MMsINC code: MMs01678299

Type: Neutral
Formula: C₂₄H₂₂N₂O

SMILES:

O(Cc1ccc(-n2nc(cc2C)C)cc1)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C24H22N2O/c1-18-16-19(2)26(25-18)23-12-8-20(9-13-23)17-27-24-14-10-22(11-15-24)21-6-4-3-5-7-21/h3-16H,17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.614 kcal/mol

Physical Properties
Molecular Weight: 354.453 g/mol	logS: -6.41023	SlogP: 6.00154	Reactive groups: 0

Topological Properties
Globularity: 0.0238879	Sterimol/B1: 2.48572	Sterimol/B2: 3.35749	Sterimol/B3: 3.68837
Sterimol/B4: 6.42701	Sterimol/L: 22.5702

Surface and Volume Properties
Accessible surface: 669.146	Positive charged surface: 363.96	Negative charged surface: 295.036	Volume: 364.875
Hydrophobic surface: 641.575	Hydrophilic surface: 27.571

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.