MMsINC Database Search


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MMsINC code: MMs02210052

Type: Neutral
Formula: C₁₉H₁₄N₂

SMILES:

[nH]1cc(c2c1cccc2)\C=N/c1c2c(ccc1)cccc2

InChI:

InChI=1/C19H14N2/c1-2-8-16-14(6-1)7-5-11-19(16)21-13-15-12-20-18-10-4-3-9-17(15)18/h1-13,20H/b21-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.548 kcal/mol

Physical Properties
Molecular Weight: 270.335 g/mol	logS: -5.4774	SlogP: 5.0717	Reactive groups: 0

Topological Properties
Globularity: 0.222438	Sterimol/B1: 2.6076	Sterimol/B2: 3.88054	Sterimol/B3: 4.88987
Sterimol/B4: 7.22417	Sterimol/L: 12.9185

Surface and Volume Properties
Accessible surface: 490.544	Positive charged surface: 272.398	Negative charged surface: 207.494	Volume: 272.375
Hydrophobic surface: 433.257	Hydrophilic surface: 57.287

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

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Ions/Tautomers related molecules: no related molecules available.