MMsINC Database Search


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

MMsINC code: MMs01291166

Type: Neutral
Formula: C₂₀H₁₆N₂O₂

SMILES:

O=C(Nc1ccc(cc1)C(=O)N)c1ccccc1-c1ccccc1

InChI:

InChI=1/C20H16N2O2/c21-19(23)15-10-12-16(13-11-15)22-20(24)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,(H2,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.234 kcal/mol

Physical Properties
Molecular Weight: 316.36 g/mol	logS: -6.03337	SlogP: 3.7048	Reactive groups: 0

Topological Properties
Globularity: 0.0446789	Sterimol/B1: 2.54744	Sterimol/B2: 3.29182	Sterimol/B3: 3.43748
Sterimol/B4: 9.45311	Sterimol/L: 15.4427

Surface and Volume Properties
Accessible surface: 556.382	Positive charged surface: 309.818	Negative charged surface: 244.495	Volume: 307.75
Hydrophobic surface: 430.896	Hydrophilic surface: 125.486

Pharmacophoric Properties
Hydrogen bond donors: 2	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.