MMsINC Database Search


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MMsINC code: MMs00694667

Type: Neutral
Formula: C₁₄H₁₄N₂

SMILES:

N(N)C(=C)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C14H14N2/c1-11(16-15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10,16H,1,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.6667 kcal/mol

Physical Properties
Molecular Weight: 210.28 g/mol	logS: -4.01789	SlogP: 2.7876	Reactive groups: 1

Topological Properties
Globularity: 0.00135812	Sterimol/B1: 2.097	Sterimol/B2: 2.19419	Sterimol/B3: 2.39113
Sterimol/B4: 5.23633	Sterimol/L: 15.1939

Surface and Volume Properties
Accessible surface: 441.374	Positive charged surface: 222.921	Negative charged surface: 207.382	Volume: 221.875
Hydrophobic surface: 324.919	Hydrophilic surface: 116.455

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

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Ions/Tautomers related molecules: no related molecules available.