MMsINC Database Search


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MMsINC code: MMs02612471

Type: Neutral
Formula: C₁₉H₁₅N₃

SMILES:

n1c2c(ccc1-c1cn(nc1)Cc1ccccc1)cccc2

InChI:

InChI=1/C19H15N3/c1-2-6-15(7-3-1)13-22-14-17(12-20-22)19-11-10-16-8-4-5-9-18(16)21-19/h1-12,14H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.2192 kcal/mol

Physical Properties
Molecular Weight: 285.35 g/mol	logS: -4.46655	SlogP: 4.413	Reactive groups: 0

Topological Properties
Globularity: 0.0516835	Sterimol/B1: 2.41495	Sterimol/B2: 3.986	Sterimol/B3: 4.62074
Sterimol/B4: 5.34314	Sterimol/L: 17.2556

Surface and Volume Properties
Accessible surface: 546.316	Positive charged surface: 316.042	Negative charged surface: 225.245	Volume: 288.625
Hydrophobic surface: 491.769	Hydrophilic surface: 54.547

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.