MMsINC Database Search


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MMsINC code: MMs02818980

Type: Neutral
Formula: C₁₉H₁₄N₂

SMILES:

[nH]1c(ccc1-c1nccc2c1cccc2)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.57 kcal/mol

Physical Properties
Molecular Weight: 270.335 g/mol	logS: -5.207	SlogP: 4.8969	Reactive groups: 0

Topological Properties
Globularity: 0.0242226	Sterimol/B1: 2.47834	Sterimol/B2: 3.11729	Sterimol/B3: 3.76748
Sterimol/B4: 6.00945	Sterimol/L: 15.0594

Surface and Volume Properties
Accessible surface: 513.543	Positive charged surface: 271.832	Negative charged surface: 230.643	Volume: 274.375
Hydrophobic surface: 479.466	Hydrophilic surface: 34.077

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.