MMsINC Database Search


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MMsINC code: MMs00278881

Type: Neutral
Formula: C₂₆H₁₉N

SMILES:

n1(c2c(cccc2)c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C26H19N/c1-4-12-20(13-5-1)25-23-18-10-11-19-24(23)27(22-16-8-3-9-17-22)26(25)21-14-6-2-7-15-21/h1-19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.316 kcal/mol

Physical Properties
Molecular Weight: 345.445 g/mol	logS: -8.21421	SlogP: 6.9645	Reactive groups: 0

Topological Properties
Globularity: 0.132312	Sterimol/B1: 3.41631	Sterimol/B2: 3.90911	Sterimol/B3: 6.34356
Sterimol/B4: 7.49558	Sterimol/L: 15.2147

Surface and Volume Properties
Accessible surface: 602.491	Positive charged surface: 342.661	Negative charged surface: 255.793	Volume: 362.125
Hydrophobic surface: 600.55	Hydrophilic surface: 1.941

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.