MMsINC Database Search


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

MMsINC code: MMs01083037

Type: Neutral
Formula: C₂₃H₁₈N₂O

SMILES:

O=C(N(c1cc2c(cc1)cccc2)c1ccccc1)c1ccc(N)cc1

InChI:

InChI=1/C23H18N2O/c24-20-13-10-18(11-14-20)23(26)25(21-8-2-1-3-9-21)22-15-12-17-6-4-5-7-19(17)16-22/h1-16H,24H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=189.372 kcal/mol

Physical Properties
Molecular Weight: 338.41 g/mol	logS: -6.6715	SlogP: 5.4005	Reactive groups: 0

Topological Properties
Globularity: 0.0345032	Sterimol/B1: 2.35914	Sterimol/B2: 3.32011	Sterimol/B3: 3.65645
Sterimol/B4: 8.51591	Sterimol/L: 17.0014

Surface and Volume Properties
Accessible surface: 575.681	Positive charged surface: 322.635	Negative charged surface: 241.136	Volume: 331.625
Hydrophobic surface: 492.862	Hydrophilic surface: 82.819

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