MMsINC Database Search


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MMsINC code: MMs01085365

Type: Neutral
Formula: C₁₈H₁₄N₂

SMILES:

n1ccc(cc1)/C(=N/c1ccccc1)/c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.7828 kcal/mol

Physical Properties
Molecular Weight: 258.324 g/mol	logS: -4.11818	SlogP: 4.2507	Reactive groups: 0

Topological Properties
Globularity: 0.105263	Sterimol/B1: 3.23977	Sterimol/B2: 3.53432	Sterimol/B3: 3.7645
Sterimol/B4: 6.35935	Sterimol/L: 14.1955

Surface and Volume Properties
Accessible surface: 484.495	Positive charged surface: 302.866	Negative charged surface: 181.63	Volume: 268.25
Hydrophobic surface: 461.725	Hydrophilic surface: 22.77

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.