MMsINC Database Search


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MMsINC code: MMs00022626

Type: Neutral
Formula: C₁₈H₁₄N₂

SMILES:

n1(c2c(c3c1cccc3)cccc2)-c1ccc(N)cc1

InChI:

InChI=1/C18H14N2/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12H,19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.4478 kcal/mol

Physical Properties
Molecular Weight: 258.324 g/mol	logS: -4.96021	SlogP: 4.3659	Reactive groups: 0

Topological Properties
Globularity: 0.0657453	Sterimol/B1: 2.92792	Sterimol/B2: 3.13913	Sterimol/B3: 3.57404
Sterimol/B4: 8.98226	Sterimol/L: 13.1851

Surface and Volume Properties
Accessible surface: 487.432	Positive charged surface: 268.487	Negative charged surface: 208.089	Volume: 263
Hydrophobic surface: 425.027	Hydrophilic surface: 62.405

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.