MMsINC Database Search


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MMsINC code: MMs02381872

Type: Neutral
Formula: C₁₉H₁₄N₂

SMILES:

n1c2c(cccc2)c(Nc2ccccc2)c2c1cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.0784 kcal/mol

Physical Properties
Molecular Weight: 270.335 g/mol	logS: -5.44042	SlogP: 5.1316	Reactive groups: 0

Topological Properties
Globularity: 0.157941	Sterimol/B1: 3.11507	Sterimol/B2: 4.75113	Sterimol/B3: 5.68849
Sterimol/B4: 6.49913	Sterimol/L: 12.5598

Surface and Volume Properties
Accessible surface: 501.351	Positive charged surface: 274.638	Negative charged surface: 221.466	Volume: 273.625
Hydrophobic surface: 461.526	Hydrophilic surface: 39.825

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.