MMsINC Database Search


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MMsINC code: MMs02633884

Type: Neutral
Formula: C₁₉H₁₄N₂

SMILES:

[nH]1c2c(nc1)c(c(cc2)-c1ccccc1)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.9739 kcal/mol

Physical Properties
Molecular Weight: 270.335 g/mol	logS: -6.65734	SlogP: 4.8969	Reactive groups: 0

Topological Properties
Globularity: 0.123954	Sterimol/B1: 2.92947	Sterimol/B2: 3.18812	Sterimol/B3: 4.04481
Sterimol/B4: 7.46492	Sterimol/L: 13.1925

Surface and Volume Properties
Accessible surface: 491.477	Positive charged surface: 306.726	Negative charged surface: 179.076	Volume: 277.125
Hydrophobic surface: 448.922	Hydrophilic surface: 42.555

Pharmacophoric Properties
Hydrogen bond donors: 2	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.