MMsINC Database Search


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

MMsINC code: MMs01879815

Type: Neutral
Formula: C₂₄H₁₈N₂O

SMILES:

O=C1N2CC(c3c([nH]c4c3cccc4)C2c2c1cccc2)c1ccccc1

InChI:

InChI=1/C24H18N2O/c27-24-17-11-5-4-10-16(17)23-22-21(18-12-6-7-13-20(18)25-22)19(14-26(23)24)15-8-2-1-3-9-15/h1-13,19,23,25H,14H2/t19-,23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.4092 kcal/mol

Physical Properties
Molecular Weight: 350.421 g/mol	logS: -5.58447	SlogP: 4.9541	Reactive groups: 0

Topological Properties
Globularity: 0.0996822	Sterimol/B1: 3.50027	Sterimol/B2: 3.59832	Sterimol/B3: 4.15591
Sterimol/B4: 8.21853	Sterimol/L: 15.6291

Surface and Volume Properties
Accessible surface: 575.042	Positive charged surface: 322.366	Negative charged surface: 249.332	Volume: 340.625
Hydrophobic surface: 520.194	Hydrophilic surface: 54.848

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.