MMsINC Database Search


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MMsINC code: MMs02319763

Type: Neutral
Formula: C₁₀H₁₀N₂

SMILES:

N(N)c1cc2c(cc1)cccc2

InChI:

InChI=1/C10H10N2/c11-12-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.1818 kcal/mol

Physical Properties
Molecular Weight: 158.204 g/mol	logS: -2.96357	SlogP: 2.1254	Reactive groups: 0

Topological Properties
Globularity: 0.00326468	Sterimol/B1: 2.10989	Sterimol/B2: 2.19845	Sterimol/B3: 3.77615
Sterimol/B4: 4.45878	Sterimol/L: 11.9811

Surface and Volume Properties
Accessible surface: 357.728	Positive charged surface: 203.313	Negative charged surface: 143.344	Volume: 162.875
Hydrophobic surface: 265.75	Hydrophilic surface: 91.978

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.