MMsINC Database Search


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

MMsINC code: MMs01237538

Type: Neutral
Formula: C₂₄H₁₈N₂O

SMILES:

O=C(N1c2c(C=CC1c1c3c([nH]c1)cccc3)cccc2)c1ccccc1

InChI:

InChI=1/C24H18N2O/c27-24(18-9-2-1-3-10-18)26-22-13-7-4-8-17(22)14-15-23(26)20-16-25-21-12-6-5-11-19(20)21/h1-16,23,25H/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.955 kcal/mol

Physical Properties
Molecular Weight: 350.421 g/mol	logS: -5.9349	SlogP: 5.6783	Reactive groups: 0

Topological Properties
Globularity: 0.199976	Sterimol/B1: 3.31997	Sterimol/B2: 3.61074	Sterimol/B3: 4.73251
Sterimol/B4: 9.16752	Sterimol/L: 13.7689

Surface and Volume Properties
Accessible surface: 569.164	Positive charged surface: 309.748	Negative charged surface: 257.746	Volume: 344.25
Hydrophobic surface: 491.934	Hydrophilic surface: 77.23

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.