MMsINC Database Search


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

MMsINC code: MMs00632167

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

O(C)c1c(cccc1C)C(=O)Nc1c2c(nccc2)ccc1

InChI:

InChI=1/C18H16N2O2/c1-12-6-3-7-14(17(12)22-2)18(21)20-16-10-4-9-15-13(16)8-5-11-19-15/h3-11H,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.254 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -4.15426	SlogP: 3.80412	Reactive groups: 0

Topological Properties
Globularity: 0.0452334	Sterimol/B1: 2.90244	Sterimol/B2: 3.47838	Sterimol/B3: 4.69021
Sterimol/B4: 5.30473	Sterimol/L: 15.6622

Surface and Volume Properties
Accessible surface: 525.703	Positive charged surface: 335.398	Negative charged surface: 185.056	Volume: 283.5
Hydrophobic surface: 481.191	Hydrophilic surface: 44.512

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.