MMsINC Database Search


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

MMsINC code: MMs02444302

Type: Neutral
Formula: C₁₅H₁₆N₂

SMILES:

N(/N(C)C)=C/c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C15H16N2/c1-17(2)16-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3/b16-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.253 kcal/mol

Physical Properties
Molecular Weight: 224.307 g/mol	logS: -3.68501	SlogP: 3.2491	Reactive groups: 0

Topological Properties
Globularity: 0.0511326	Sterimol/B1: 2.15677	Sterimol/B2: 3.65112	Sterimol/B3: 4.66245
Sterimol/B4: 5.47847	Sterimol/L: 14.0165

Surface and Volume Properties
Accessible surface: 457.51	Positive charged surface: 301.283	Negative charged surface: 146.032	Volume: 239.75
Hydrophobic surface: 420.738	Hydrophilic surface: 36.772

Pharmacophoric Properties
Hydrogen bond donors: 0	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.