MMsINC Database Search


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MMsINC code: MMs00020030

Type: Neutral
Formula: C₈H₁₀N₂O₂

SMILES:

O(C)c1ccccc1C(=O)NN

InChI:

InChI=1/C8H10N2O2/c1-12-7-5-3-2-4-6(7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.957 kcal/mol

Physical Properties
Molecular Weight: 166.18 g/mol	logS: -1.66731	SlogP: 0.2987	Reactive groups: 0

Topological Properties
Globularity: 0.0157414	Sterimol/B1: 2.35881	Sterimol/B2: 2.39094	Sterimol/B3: 2.5744
Sterimol/B4: 7.0853	Sterimol/L: 10.5297

Surface and Volume Properties
Accessible surface: 357.503	Positive charged surface: 246.042	Negative charged surface: 111.461	Volume: 159.625
Hydrophobic surface: 230.517	Hydrophilic surface: 126.986

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.