MMsINC Database Search


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MMsINC code: MMs02676814

Type: Neutral
Formula: C₁₀H₁₀N₂

SMILES:

n1cc(N)c(c2c1cccc2)C

InChI:

InChI=1/C10H10N2/c1-7-8-4-2-3-5-10(8)12-6-9(7)11/h2-6H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0522 kcal/mol

Physical Properties
Molecular Weight: 158.204 g/mol	logS: -1.85477	SlogP: 2.12542	Reactive groups: 0

Topological Properties
Globularity: 0.0131214	Sterimol/B1: 2.10317	Sterimol/B2: 2.15088	Sterimol/B3: 2.51209
Sterimol/B4: 6.1267	Sterimol/L: 10.8316

Surface and Volume Properties
Accessible surface: 342.932	Positive charged surface: 219.786	Negative charged surface: 117.836	Volume: 162.875
Hydrophobic surface: 270.564	Hydrophilic surface: 72.368

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.