MMsINC Database Search


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MMsINC code: MMs00532190

Type: Neutral
Formula: C₁₉H₁₄N₂

SMILES:

n1cc(cc\2c1-c1c(cccc1)/C/2=N/c1ccccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7885 kcal/mol

Physical Properties
Molecular Weight: 270.335 g/mol	logS: -5.02833	SlogP: 4.53952	Reactive groups: 0

Topological Properties
Globularity: 0.07092	Sterimol/B1: 2.68801	Sterimol/B2: 3.21498	Sterimol/B3: 3.90744
Sterimol/B4: 7.4503	Sterimol/L: 14.1044

Surface and Volume Properties
Accessible surface: 497.783	Positive charged surface: 303.86	Negative charged surface: 188.682	Volume: 274.25
Hydrophobic surface: 463.01	Hydrophilic surface: 34.773

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.