MMsINC Database Search


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MMsINC code: MMs03728355

Type: Neutral
Formula: C₂₄H₂₀N₂

SMILES:

n12c(cc(c1-c1ccccc1)C1N(C=CC=C1)C)-c1c(C=C2)cccc1

InChI:

InChI=1/C24H20N2/c1-25-15-8-7-13-22(25)21-17-23-20-12-6-5-9-18(20)14-16-26(23)24(21)19-10-3-2-4-11-19/h2-17,22H,1H3/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.6864 kcal/mol

Physical Properties
Molecular Weight: 336.438 g/mol	logS: -5.70612	SlogP: 5.9153	Reactive groups: 0

Topological Properties
Globularity: 0.105797	Sterimol/B1: 3.12289	Sterimol/B2: 4.72766	Sterimol/B3: 5.32165
Sterimol/B4: 6.38512	Sterimol/L: 14.6289

Surface and Volume Properties
Accessible surface: 579.504	Positive charged surface: 349.401	Negative charged surface: 230.103	Volume: 350.625
Hydrophobic surface: 558.498	Hydrophilic surface: 21.006

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