MMsINC Database Search


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MMsINC code: MMs03264762

Type: Neutral
Formula: C₂₀H₁₅N₃

SMILES:

N(=Nc1c2c(ccc1)cccc2)c1cc(N)cc2c1cccc2

InChI:

InChI=1/C20H15N3/c21-16-12-15-7-2-4-10-18(15)20(13-16)23-22-19-11-5-8-14-6-1-3-9-17(14)19/h1-13H,21H2/b23-22+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.5898 kcal/mol

Physical Properties
Molecular Weight: 297.361 g/mol	logS: -6.75432	SlogP: 5.9906	Reactive groups: 0

Topological Properties
Globularity: 1.48377e-06	Sterimol/B1: 2.10221	Sterimol/B2: 2.10712	Sterimol/B3: 4.25905
Sterimol/B4: 6.61787	Sterimol/L: 15.8428

Surface and Volume Properties
Accessible surface: 555.645	Positive charged surface: 281.547	Negative charged surface: 251.956	Volume: 297.625
Hydrophobic surface: 495.142	Hydrophilic surface: 60.503

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.