MMsINC Database Search


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

MMsINC code: MMs03035993

Type: Neutral
Formula: C₁₅H₁₆N₂

SMILES:

N(=C\Nc1ccc(cc1)C)/c1ccc(cc1)C

InChI:

InChI=1/C15H16N2/c1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6784 kcal/mol

Physical Properties
Molecular Weight: 224.307 g/mol	logS: -4.34972	SlogP: 4.07534	Reactive groups: 0

Topological Properties
Globularity: 0.0529397	Sterimol/B1: 2.44792	Sterimol/B2: 2.76692	Sterimol/B3: 3.3734
Sterimol/B4: 6.21244	Sterimol/L: 15.4046

Surface and Volume Properties
Accessible surface: 480.4	Positive charged surface: 305.558	Negative charged surface: 174.841	Volume: 244
Hydrophobic surface: 439.684	Hydrophilic surface: 40.716

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.