MMsINC Database Search


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MMsINC code: MMs00510797

Type: Neutral
Formula: C₂₂H₂₀N₂

SMILES:

n1(c2c(cc(cc2)\C=N\c2ccccc2C)c2c1cccc2)CC

InChI:

InChI=1/C22H20N2/c1-3-24-21-11-7-5-9-18(21)19-14-17(12-13-22(19)24)15-23-20-10-6-4-8-16(20)2/h4-15H,3H2,1-2H3/b23-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.4172 kcal/mol

Physical Properties
Molecular Weight: 312.416 g/mol	logS: -5.82789	SlogP: 6.13982	Reactive groups: 0

Topological Properties
Globularity: 0.032458	Sterimol/B1: 2.39252	Sterimol/B2: 3.25804	Sterimol/B3: 3.43737
Sterimol/B4: 8.32929	Sterimol/L: 17.6444

Surface and Volume Properties
Accessible surface: 589.417	Positive charged surface: 341.559	Negative charged surface: 237.036	Volume: 329.75
Hydrophobic surface: 554.233	Hydrophilic surface: 35.184

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

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Ions/Tautomers related molecules: no related molecules available.