MMsINC Database Search


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

MMsINC code: MMs01338399

Type: Neutral
Formula: C₁₈H₁₆N₂O

SMILES:

O=C(Nc1ccc(cc1)C)c1ccccc1-n1cccc1

InChI:

InChI=1/C18H16N2O/c1-14-8-10-15(11-9-14)19-18(21)16-6-2-3-7-17(16)20-12-4-5-13-20/h2-13H,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.8919 kcal/mol

Physical Properties
Molecular Weight: 276.339 g/mol	logS: -3.98988	SlogP: 4.03802	Reactive groups: 0

Topological Properties
Globularity: 0.0579418	Sterimol/B1: 3.04746	Sterimol/B2: 3.4505	Sterimol/B3: 5.43992
Sterimol/B4: 5.79982	Sterimol/L: 14.9702

Surface and Volume Properties
Accessible surface: 525.831	Positive charged surface: 295.967	Negative charged surface: 229.863	Volume: 280.75
Hydrophobic surface: 483.223	Hydrophilic surface: 42.608

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.