MMsINC Database Search


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

MMsINC code: MMs01024462

Type: Neutral
Formula: C₁₉H₂₀N₄

SMILES:

n1cnc(Nc2ccc(cc2)C)cc1Nc1cc(cc(c1)C)C

InChI:

InChI=1/C19H20N4/c1-13-4-6-16(7-5-13)22-18-11-19(21-12-20-18)23-17-9-14(2)8-15(3)10-17/h4-12H,1-3H3,(H2,20,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.1027 kcal/mol

Physical Properties
Molecular Weight: 304.397 g/mol	logS: -5.57266	SlogP: 4.88906	Reactive groups: 0

Topological Properties
Globularity: 0.0272933	Sterimol/B1: 2.81767	Sterimol/B2: 3.67798	Sterimol/B3: 3.69486
Sterimol/B4: 5.23597	Sterimol/L: 18.6126

Surface and Volume Properties
Accessible surface: 599.16	Positive charged surface: 391.284	Negative charged surface: 207.875	Volume: 310.75
Hydrophobic surface: 512.792	Hydrophilic surface: 86.368

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