MMsINC Database Search


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MMsINC code: MMs02344041

Type: Neutral
Formula: C₂₃H₁₆N₂

SMILES:

[nH]1c(c(-c2ccccc2)c(C#N)c1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C23H16N2/c24-16-20-21(17-10-4-1-5-11-17)23(19-14-8-3-9-15-19)25-22(20)18-12-6-2-7-13-18/h1-15,25H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7525 kcal/mol

Physical Properties
Molecular Weight: 320.395 g/mol	logS: -7.39577	SlogP: 5.88738	Reactive groups: 0

Topological Properties
Globularity: 0.0900629	Sterimol/B1: 2.3988	Sterimol/B2: 3.42103	Sterimol/B3: 3.48661
Sterimol/B4: 9.0022	Sterimol/L: 14.8385

Surface and Volume Properties
Accessible surface: 581.811	Positive charged surface: 312.257	Negative charged surface: 269.554	Volume: 333
Hydrophobic surface: 502.907	Hydrophilic surface: 78.904

Pharmacophoric Properties
Hydrogen bond donors: 1	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.