MMsINC Database Search


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MMsINC code: MMs00482241

Type: Neutral
Formula: C₅H₁₀N₂O₃

SMILES:

OC(=O)CNC(=O)CCN

InChI:

InChI=1/C5H10N2O3/c6-2-1-4(8)7-3-5(9)10/h1-3,6H2,(H,7,8)(H,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=6.04032 kcal/mol

Physical Properties
Molecular Weight: 146.146 g/mol	logS: 0.66777	SlogP: -1.464	Reactive groups: 0

Topological Properties
Globularity: 0.0303816	Sterimol/B1: 2.41917	Sterimol/B2: 2.56527	Sterimol/B3: 2.76009
Sterimol/B4: 3.79589	Sterimol/L: 12.7504

Surface and Volume Properties
Accessible surface: 337.202	Positive charged surface: 243.265	Negative charged surface: 93.9369	Volume: 133.125
Hydrophobic surface: 115.949	Hydrophilic surface: 221.253

Pharmacophoric Properties
Hydrogen bond donors: 4	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.