MMsINC Database Search


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MMsINC code: MMs03470526

Type: Neutral
Formula: C₂₆H₂₀N₂

SMILES:

n1ccn(c1)C(c1c2c(ccc1)cccc2)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C26H20N2/c1-2-7-20(8-3-1)21-13-15-23(16-14-21)26(28-18-17-27-19-28)25-12-6-10-22-9-4-5-11-24(22)25/h1-19,26H/t26-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=161.233 kcal/mol

Physical Properties
Molecular Weight: 360.46 g/mol	logS: -7.72317	SlogP: 6.4365	Reactive groups: 0

Topological Properties
Globularity: 0.178123	Sterimol/B1: 4.15524	Sterimol/B2: 4.41552	Sterimol/B3: 4.87726
Sterimol/B4: 7.69405	Sterimol/L: 16.5049

Surface and Volume Properties
Accessible surface: 614.851	Positive charged surface: 324.725	Negative charged surface: 271.049	Volume: 367
Hydrophobic surface: 578.038	Hydrophilic surface: 36.813

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.