MMsINC Database Search


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

MMsINC code: MMs00273502

Type: Neutral
Formula: C₂₄H₁₈N₂O₂

SMILES:

O(c1ccc(cc1)C(=O)C)c1nc(nc(c1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H18N2O2/c1-17(27)18-12-14-21(15-13-18)28-23-16-22(19-8-4-2-5-9-19)25-24(26-23)20-10-6-3-7-11-20/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.1342 kcal/mol

Physical Properties
Molecular Weight: 366.42 g/mol	logS: -7.77482	SlogP: 5.8055	Reactive groups: 0

Topological Properties
Globularity: 0.0359946	Sterimol/B1: 2.71996	Sterimol/B2: 4.08772	Sterimol/B3: 4.53073
Sterimol/B4: 8.41036	Sterimol/L: 18.7172

Surface and Volume Properties
Accessible surface: 638.654	Positive charged surface: 336.213	Negative charged surface: 293.833	Volume: 359.875
Hydrophobic surface: 571.545	Hydrophilic surface: 67.109

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.