MMsINC Database Search


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MMsINC code: MMs02881118

Type: Neutral
Formula: C₁₈H₁₄N₂

SMILES:

n1ccccc1-c1ccc(\N=C\c2ccccc2)cc1

InChI:

InChI=1/C18H14N2/c1-2-6-15(7-3-1)14-20-17-11-9-16(10-12-17)18-8-4-5-13-19-18/h1-14H/b20-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5552 kcal/mol

Physical Properties
Molecular Weight: 258.324 g/mol	logS: -4.44666	SlogP: 4.4992	Reactive groups: 0

Topological Properties
Globularity: 0.0140115	Sterimol/B1: 2.62873	Sterimol/B2: 2.78285	Sterimol/B3: 3.67847
Sterimol/B4: 3.9581	Sterimol/L: 18.4083

Surface and Volume Properties
Accessible surface: 524.24	Positive charged surface: 302.296	Negative charged surface: 216.849	Volume: 269.5
Hydrophobic surface: 494.688	Hydrophilic surface: 29.552

Pharmacophoric Properties
Hydrogen bond donors: 0	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.