MMsINC Database Search


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

MMsINC code: MMs01378362

Type: Neutral
Formula: C₂₃H₁₈N₂O

SMILES:

O=C(N(Cc1ccccc1)c1ccccc1)c1nc2c(cc1)cccc2

InChI:

InChI=1/C23H18N2O/c26-23(22-16-15-19-11-7-8-14-21(19)24-22)25(20-12-5-2-6-13-20)17-18-9-3-1-4-10-18/h1-16H,17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=181.143 kcal/mol

Physical Properties
Molecular Weight: 338.41 g/mol	logS: -5.75824	SlogP: 5.3482	Reactive groups: 0

Topological Properties
Globularity: 0.103492	Sterimol/B1: 2.14647	Sterimol/B2: 2.33229	Sterimol/B3: 5.09874
Sterimol/B4: 8.41821	Sterimol/L: 16.1202

Surface and Volume Properties
Accessible surface: 564.995	Positive charged surface: 300.649	Negative charged surface: 259.496	Volume: 336.75
Hydrophobic surface: 526.72	Hydrophilic surface: 38.275

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.