MMsINC Database Search


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MMsINC code: MMs00025063

Type: Neutral
Formula: C₁₉H₁₆N₂

SMILES:

N(=C(/Nc1ccccc1)\c1ccccc1)/c1ccccc1

InChI:

InChI=1/C19H16N2/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0319 kcal/mol

Physical Properties
Molecular Weight: 272.351 g/mol	logS: -5.2735	SlogP: 4.877	Reactive groups: 0

Topological Properties
Globularity: 0.111856	Sterimol/B1: 2.86428	Sterimol/B2: 3.24984	Sterimol/B3: 3.78244
Sterimol/B4: 7.84508	Sterimol/L: 13.3375

Surface and Volume Properties
Accessible surface: 513.34	Positive charged surface: 300.414	Negative charged surface: 212.926	Volume: 284.75
Hydrophobic surface: 495.312	Hydrophilic surface: 18.028

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.