MMsINC Database Search


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MMsINC code: MMs02401788

Type: Neutral
Formula: C₁₄H₁₄N₂

SMILES:

N(=Nc1ccccc1C)c1ccccc1C

InChI:

InChI=1/C14H14N2/c1-11-7-3-5-9-13(11)15-16-14-10-6-4-8-12(14)2/h3-10H,1-2H3/b16-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.0892 kcal/mol

Physical Properties
Molecular Weight: 210.28 g/mol	logS: -3.59862	SlogP: 4.71884	Reactive groups: 0

Topological Properties
Globularity: 0.0100105	Sterimol/B1: 2.23182	Sterimol/B2: 2.51259	Sterimol/B3: 2.51264
Sterimol/B4: 6.78487	Sterimol/L: 13.708

Surface and Volume Properties
Accessible surface: 453.433	Positive charged surface: 249.984	Negative charged surface: 203.449	Volume: 225.75
Hydrophobic surface: 453.433	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.