MMsINC Database Search


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MMsINC code: MMs02139554

Type: Neutral
Formula: C₁₀H₁₀N₂

SMILES:

[nH]1nc(-c2ccccc2)c(c1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.8588 kcal/mol

Physical Properties
Molecular Weight: 158.204 g/mol	logS: -2.37657	SlogP: 2.38512	Reactive groups: 0

Topological Properties
Globularity: 0.0603832	Sterimol/B1: 2.10632	Sterimol/B2: 2.13805	Sterimol/B3: 3.26863
Sterimol/B4: 5.48591	Sterimol/L: 11.3959

Surface and Volume Properties
Accessible surface: 355.891	Positive charged surface: 204.212	Negative charged surface: 151.679	Volume: 165.875
Hydrophobic surface: 267.342	Hydrophilic surface: 88.549

Pharmacophoric Properties
Hydrogen bond donors: 2	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.