MMsINC Database Search


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MMsINC code: MMs00482622

Type: Neutral
Formula: C₅H₁₀N₂O₃

SMILES:

OC(=O)CN(C(=O)CN)C

InChI:

InChI=1/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.9968 kcal/mol

Physical Properties
Molecular Weight: 146.146 g/mol	logS: 0.65568	SlogP: -1.5119	Reactive groups: 0

Topological Properties
Globularity: 0.122759	Sterimol/B1: 2.16973	Sterimol/B2: 2.96277	Sterimol/B3: 3.30695
Sterimol/B4: 5.05976	Sterimol/L: 10.6964

Surface and Volume Properties
Accessible surface: 328.661	Positive charged surface: 245.758	Negative charged surface: 82.9033	Volume: 134.625
Hydrophobic surface: 131.111	Hydrophilic surface: 197.55

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.