MMsINC Database Search


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

MMsINC code: MMs00792915

Type: Neutral
Formula: C₂₆H₂₀N₂O₂

SMILES:

O=C1N(C(=O)c2c3c1ccc(N1CCCC1)c3ccc2)c1c2c(ccc1)cccc2

InChI:

InChI=1/C26H20N2O2/c29-25-20-11-6-10-19-22(27-15-3-4-16-27)14-13-21(24(19)20)26(30)28(25)23-12-5-8-17-7-1-2-9-18(17)23/h1-2,5-14H,3-4,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=182.387 kcal/mol

Physical Properties
Molecular Weight: 392.458 g/mol	logS: -7.99414	SlogP: 5.3938	Reactive groups: 0

Topological Properties
Globularity: 0.103456	Sterimol/B1: 2.54429	Sterimol/B2: 2.73542	Sterimol/B3: 6.76749
Sterimol/B4: 7.06853	Sterimol/L: 17.6171

Surface and Volume Properties
Accessible surface: 631.57	Positive charged surface: 368.618	Negative charged surface: 245.772	Volume: 375.875
Hydrophobic surface: 564.406	Hydrophilic surface: 67.164

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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.