MMsINC Database Search


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

MMsINC code: MMs03212700

Type: Neutral
Formula: C₁₄H₁₆N₂

SMILES:

N(C)c1ccccc1-c1cc(NC)ccc1

InChI:

InChI=1/C14H16N2/c1-15-12-7-5-6-11(10-12)13-8-3-4-9-14(13)16-2/h3-10,15-16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8316 kcal/mol

Physical Properties
Molecular Weight: 212.296 g/mol	logS: -3.40418	SlogP: 3.437	Reactive groups: 0

Topological Properties
Globularity: 0.0706107	Sterimol/B1: 2.5756	Sterimol/B2: 3.95759	Sterimol/B3: 4.83063
Sterimol/B4: 5.09827	Sterimol/L: 13.362

Surface and Volume Properties
Accessible surface: 459.844	Positive charged surface: 328.808	Negative charged surface: 126.531	Volume: 227.875
Hydrophobic surface: 427.858	Hydrophilic surface: 31.986

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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.