MMsINC Database Search


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MMsINC code: MMs00616035

Type: Neutral
Formula: C₁₉H₁₄N₂

SMILES:

n1c2c(n(c1)-c1ccc(cc1)-c1ccccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.7266 kcal/mol

Physical Properties
Molecular Weight: 270.335 g/mol	logS: -5.94883	SlogP: 4.6925	Reactive groups: 0

Topological Properties
Globularity: 0.0312062	Sterimol/B1: 2.77008	Sterimol/B2: 3.18717	Sterimol/B3: 3.72962
Sterimol/B4: 4.91074	Sterimol/L: 16.6896

Surface and Volume Properties
Accessible surface: 507.524	Positive charged surface: 257.217	Negative charged surface: 239.236	Volume: 274.75
Hydrophobic surface: 480.607	Hydrophilic surface: 26.917

Pharmacophoric Properties
Hydrogen bond donors: 0	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.