MMsINC Database Search


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MMsINC code: MMs00268003

Type: Neutral
Formula: C₁₉H₁₄N₂

SMILES:

n1c2-c3c(cccc3C)\C(=N/c3ccccc3)\c2ccc1

InChI:

InChI=1/C19H14N2/c1-13-7-5-10-15-17(13)19-16(11-6-12-20-19)18(15)21-14-8-3-2-4-9-14/h2-12H,1H3/b21-18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.06 kcal/mol

Physical Properties
Molecular Weight: 270.335 g/mol	logS: -5.34178	SlogP: 4.53952	Reactive groups: 0

Topological Properties
Globularity: 0.0700799	Sterimol/B1: 3.05247	Sterimol/B2: 3.33522	Sterimol/B3: 3.75731
Sterimol/B4: 7.95764	Sterimol/L: 13.9437

Surface and Volume Properties
Accessible surface: 501.912	Positive charged surface: 307.03	Negative charged surface: 189.174	Volume: 272.75
Hydrophobic surface: 475.391	Hydrophilic surface: 26.521

Pharmacophoric Properties
Hydrogen bond donors: 0	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

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Ions/Tautomers related molecules: no related molecules available.