MMsINC Database Search


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MMsINC code: MMs03038843

Type: Neutral
Formula: C₈H₁₀N₂O

SMILES:

O=C(C)c1cc(NN)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.336 kcal/mol

Physical Properties
Molecular Weight: 150.181 g/mol	logS: -1.39796	SlogP: 1.1748	Reactive groups: 0

Topological Properties
Globularity: 0.0141563	Sterimol/B1: 2.04465	Sterimol/B2: 2.50707	Sterimol/B3: 3.71075
Sterimol/B4: 4.63776	Sterimol/L: 11.7073

Surface and Volume Properties
Accessible surface: 341.977	Positive charged surface: 204.265	Negative charged surface: 137.712	Volume: 149.5
Hydrophobic surface: 210.06	Hydrophilic surface: 131.917

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.