MMsINC Database Search


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

MMsINC code: MMs01051123

Type: Neutral
Formula: C₁₆H₁₄N₂O₂

SMILES:

O=C1N(Cc2c1cccc2)CC(=O)Nc1ccccc1

InChI:

InChI=1/C16H14N2O2/c19-15(17-13-7-2-1-3-8-13)11-18-10-12-6-4-5-9-14(12)16(18)20/h1-9H,10-11H2,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.7124 kcal/mol

Physical Properties
Molecular Weight: 266.3 g/mol	logS: -3.54385	SlogP: 2.5475	Reactive groups: 0

Topological Properties
Globularity: 0.0734094	Sterimol/B1: 3.09149	Sterimol/B2: 3.24761	Sterimol/B3: 4.72357
Sterimol/B4: 5.495	Sterimol/L: 15.8082

Surface and Volume Properties
Accessible surface: 503.007	Positive charged surface: 299.8	Negative charged surface: 203.207	Volume: 257.75
Hydrophobic surface: 415.024	Hydrophilic surface: 87.983

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.