MMsINC Database Search


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MMsINC code: MMs03260647

Type: Neutral
Formula: C₈H₁₀N₂O

SMILES:

Oc1ccccc1/C(=N/N)/C

InChI:

InChI=1/C8H10N2O/c1-6(10-9)7-4-2-3-5-8(7)11/h2-5,11H,9H2,1H3/b10-6-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.7576 kcal/mol

Physical Properties
Molecular Weight: 150.181 g/mol	logS: -1.51589	SlogP: 1.0749	Reactive groups: 0

Topological Properties
Globularity: 0.277796	Sterimol/B1: 2.34368	Sterimol/B2: 2.90508	Sterimol/B3: 4.25223
Sterimol/B4: 4.92668	Sterimol/L: 10.0192

Surface and Volume Properties
Accessible surface: 344.055	Positive charged surface: 213.063	Negative charged surface: 130.993	Volume: 150.375
Hydrophobic surface: 227.138	Hydrophilic surface: 116.917

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.