MMsINC Database Search


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

MMsINC code: MMs03755247

Type: Neutral
Formula: C₂₃H₂₂N₂O

SMILES:

O=C1N(Cc2ccccc2)C(NC1Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C23H22N2O/c26-23-21(16-18-10-4-1-5-11-18)24-22(20-14-8-3-9-15-20)25(23)17-19-12-6-2-7-13-19/h1-15,21-22,24H,16-17H2/t21-,22+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.909 kcal/mol

Physical Properties
Molecular Weight: 342.442 g/mol	logS: -4.8188	SlogP: 4.29037	Reactive groups: 0

Topological Properties
Globularity: 0.156998	Sterimol/B1: 3.00536	Sterimol/B2: 3.63318	Sterimol/B3: 4.71513
Sterimol/B4: 9.35808	Sterimol/L: 15.0597

Surface and Volume Properties
Accessible surface: 618.692	Positive charged surface: 346.492	Negative charged surface: 272.2	Volume: 352.75
Hydrophobic surface: 584.411	Hydrophilic surface: 34.281

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.