MMsINC Database Search


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MMsINC code: MMs00016316

Type: Neutral
Formula: C₆H₁₀N₂O₂

SMILES:

O=C1N(CCNC1=O)CC

InChI:

InChI=1/C6H10N2O2/c1-2-8-4-3-7-5(9)6(8)10/h2-4H2,1H3,(H,7,9)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.6222 kcal/mol

Physical Properties
Molecular Weight: 142.158 g/mol	logS: -0.30574	SlogP: -1.0353	Reactive groups: 0

Topological Properties
Globularity: 0.132201	Sterimol/B1: 2.29357	Sterimol/B2: 3.42667	Sterimol/B3: 3.54058
Sterimol/B4: 4.20928	Sterimol/L: 9.85099

Surface and Volume Properties
Accessible surface: 315.405	Positive charged surface: 228.303	Negative charged surface: 87.102	Volume: 134.75
Hydrophobic surface: 177.368	Hydrophilic surface: 138.037

Pharmacophoric Properties
Hydrogen bond donors: 1	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.