MMsINC Database Search


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MMsINC code: MMs01290734

Type: Neutral
Formula: C₁₀H₁₀N₂

SMILES:

[nH]1cc(c2c1cccc2)\C=N\C

InChI:

InChI=1/C10H10N2/c1-11-6-8-7-12-10-5-3-2-4-9(8)10/h2-7,12H,1H3/b11-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.9807 kcal/mol

Physical Properties
Molecular Weight: 158.204 g/mol	logS: -1.77566	SlogP: 2.2166	Reactive groups: 0

Topological Properties
Globularity: 0.0105567	Sterimol/B1: 2.37261	Sterimol/B2: 2.37737	Sterimol/B3: 3.76031
Sterimol/B4: 5.46984	Sterimol/L: 11.2438

Surface and Volume Properties
Accessible surface: 366.779	Positive charged surface: 246.088	Negative charged surface: 115.287	Volume: 169.625
Hydrophobic surface: 296	Hydrophilic surface: 70.779

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.