MMsINC Database Search


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MMsINC code: MMs02459002

Type: Neutral
Formula: C₆H₁₀N₂O₂

SMILES:

O=C1N(CCN(C)C1=O)C

InChI:

InChI=1/C6H10N2O2/c1-7-3-4-8(2)6(10)5(7)9/h3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.9781 kcal/mol

Physical Properties
Molecular Weight: 142.158 g/mol	logS: 0.12746	SlogP: -1.0832	Reactive groups: 0

Topological Properties
Globularity: 0.0843952	Sterimol/B1: 2.8849	Sterimol/B2: 2.9684	Sterimol/B3: 3.53635
Sterimol/B4: 3.98045	Sterimol/L: 9.67287

Surface and Volume Properties
Accessible surface: 321.213	Positive charged surface: 263.53	Negative charged surface: 57.6825	Volume: 137
Hydrophobic surface: 237.9	Hydrophilic surface: 83.313

Pharmacophoric Properties
Hydrogen bond donors: 0	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.