MMsINC Database Search


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MMsINC code: MMs02560621

Type: Neutral
Formula: C₁₀H₁₀N₂

SMILES:

n1c2ncccc2c(cc1C)C

InChI:

InChI=1/C10H10N2/c1-7-6-8(2)12-10-9(7)4-3-5-11-10/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.7457 kcal/mol

Physical Properties
Molecular Weight: 158.204 g/mol	logS: -3.21221	SlogP: 2.24664	Reactive groups: 0

Topological Properties
Globularity: 0.0260822	Sterimol/B1: 2.05013	Sterimol/B2: 2.51184	Sterimol/B3: 2.51791
Sterimol/B4: 6.74288	Sterimol/L: 10.9623

Surface and Volume Properties
Accessible surface: 354.77	Positive charged surface: 224.013	Negative charged surface: 125.447	Volume: 165.75
Hydrophobic surface: 314.601	Hydrophilic surface: 40.169

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.