MMsINC Database Search


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MMsINC code: MMs00006950

Type: Neutral
Formula: C₆H₁₀N₂O₂

SMILES:

O=CN1CCN(CC1)C=O

InChI:

InChI=1/C6H10N2O2/c9-5-7-1-2-8(6-10)4-3-7/h5-6H,1-4H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.7923 kcal/mol

Physical Properties
Molecular Weight: 142.158 g/mol	logS: 0.3349	SlogP: -1.0832	Reactive groups: 0

Topological Properties
Globularity: 0.153133	Sterimol/B1: 2.32102	Sterimol/B2: 2.53196	Sterimol/B3: 3.41332
Sterimol/B4: 4.85056	Sterimol/L: 9.94115

Surface and Volume Properties
Accessible surface: 312.255	Positive charged surface: 250.6	Negative charged surface: 61.6544	Volume: 135.375
Hydrophobic surface: 192.429	Hydrophilic surface: 119.826

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.