MMsINC Database Search


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

MMsINC code: MMs00100765

Type: Neutral
Formula: C₁₉H₂₀N₂

SMILES:

n1c2c(cc(cc2)C)c(Nc2ccc(cc2C)C)cc1C

InChI:

InChI=1/C19H20N2/c1-12-5-7-17(14(3)9-12)21-19-11-15(4)20-18-8-6-13(2)10-16(18)19/h5-11H,1-4H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.6232 kcal/mol

Physical Properties
Molecular Weight: 276.383 g/mol	logS: -5.01544	SlogP: 5.21208	Reactive groups: 0

Topological Properties
Globularity: 0.0542946	Sterimol/B1: 2.69577	Sterimol/B2: 4.03153	Sterimol/B3: 4.87834
Sterimol/B4: 6.21549	Sterimol/L: 15.1507

Surface and Volume Properties
Accessible surface: 543.222	Positive charged surface: 333.214	Negative charged surface: 205.172	Volume: 294.25
Hydrophobic surface: 521.218	Hydrophilic surface: 22.004

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.