MMsINC Database Search


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MMsINC code: MMs02675177

Type: Neutral
Formula: C₅H₁₀N₂O₃

SMILES:

OCC(NC(=O)C)C(=O)N

InChI:

InChI=1/C5H10N2O3/c1-3(9)7-4(2-8)5(6)10/h4,8H,2H2,1H3,(H2,6,10)(H,7,9)/t4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.2132 kcal/mol

Physical Properties
Molecular Weight: 146.146 g/mol	logS: 0.15351	SlogP: -2.0313	Reactive groups: 0

Topological Properties
Globularity: 0.145573	Sterimol/B1: 2.8965	Sterimol/B2: 3.33619	Sterimol/B3: 3.47693
Sterimol/B4: 3.98467	Sterimol/L: 10.2888

Surface and Volume Properties
Accessible surface: 325.025	Positive charged surface: 221.894	Negative charged surface: 103.132	Volume: 132.625
Hydrophobic surface: 134.539	Hydrophilic surface: 190.486

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.