MMsINC Database Search


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MMsINC code: MMs02689295

Type: Neutral
Formula: C₁₉H₁₅N₃

SMILES:

n1n(c2nccc(c2c1C)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C19H15N3/c1-14-18-17(15-8-4-2-5-9-15)12-13-20-19(18)22(21-14)16-10-6-3-7-11-16/h2-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.359 kcal/mol

Physical Properties
Molecular Weight: 285.35 g/mol	logS: -6.10416	SlogP: 4.39592	Reactive groups: 0

Topological Properties
Globularity: 0.0452623	Sterimol/B1: 2.39504	Sterimol/B2: 3.12188	Sterimol/B3: 3.14423
Sterimol/B4: 7.63978	Sterimol/L: 16.4698

Surface and Volume Properties
Accessible surface: 519.38	Positive charged surface: 300.616	Negative charged surface: 210.681	Volume: 287.625
Hydrophobic surface: 503.034	Hydrophilic surface: 16.346

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.