MMsINC Database Search


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MMsINC code: MMs02403857

Type: Neutral
Formula: C₂₆H₂₄N₂

SMILES:

n1c2c(cccc2)c(cc1)\C=C/c1ccc(N(Cc2ccccc2)CC)cc1

InChI:

InChI=1/C26H24N2/c1-2-28(20-22-8-4-3-5-9-22)24-16-13-21(14-17-24)12-15-23-18-19-27-26-11-7-6-10-25(23)26/h3-19H,2,20H2,1H3/b15-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.659 kcal/mol

Physical Properties
Molecular Weight: 364.492 g/mol	logS: -6.87012	SlogP: 6.6981	Reactive groups: 0

Topological Properties
Globularity: 0.181251	Sterimol/B1: 2.49152	Sterimol/B2: 2.84236	Sterimol/B3: 6.21955
Sterimol/B4: 8.15598	Sterimol/L: 16.2992

Surface and Volume Properties
Accessible surface: 639.048	Positive charged surface: 391.27	Negative charged surface: 244.629	Volume: 383.75
Hydrophobic surface: 582.239	Hydrophilic surface: 56.809

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.