MMsINC Database Search


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MMsINC code: MMs02815442

Type: Neutral
Formula: C₂₀H₁₆N₂

SMILES:

n1(c2c(c3c4c(ccc3c3n(ccc23)C)cccc4)cc1)C

InChI:

InChI=1/C20H16N2/c1-21-11-9-16-18-14-6-4-3-5-13(14)7-8-15(18)19-17(20(16)21)10-12-22(19)2/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.908 kcal/mol

Physical Properties
Molecular Weight: 284.362 g/mol	logS: -5.50846	SlogP: 5.6948	Reactive groups: 0

Topological Properties
Globularity: 0.00944685	Sterimol/B1: 2.12927	Sterimol/B2: 2.50477	Sterimol/B3: 2.51787
Sterimol/B4: 9.68204	Sterimol/L: 13.3449

Surface and Volume Properties
Accessible surface: 489.821	Positive charged surface: 277.758	Negative charged surface: 179.375	Volume: 288.5
Hydrophobic surface: 448.98	Hydrophilic surface: 40.841

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.