MMsINC Database Search


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MMsINC code: MMs00002964

Type: Neutral
Formula: C₆H₁₀N₂O₂

SMILES:

O=C1NC(C)C(=O)NC1C

InChI:

InChI=1/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)/t3-,4-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4366 kcal/mol

Physical Properties
Molecular Weight: 142.158 g/mol	logS: -0.73894	SlogP: -0.9906	Reactive groups: 0

Topological Properties
Globularity: 0.351769	Sterimol/B1: 2.16466	Sterimol/B2: 3.67469	Sterimol/B3: 3.94985
Sterimol/B4: 4.04317	Sterimol/L: 8.12873

Surface and Volume Properties
Accessible surface: 305.979	Positive charged surface: 193.62	Negative charged surface: 112.359	Volume: 131.875
Hydrophobic surface: 126.07	Hydrophilic surface: 179.909

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.