MMsINC Database Search


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MMsINC code: MMs00009026

Type: Neutral
Formula: C₅H₁₀N₂O₃

SMILES:

OC(=O)C(N)CCC(=O)N

InChI:

InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.1902 kcal/mol

Physical Properties
Molecular Weight: 146.146 g/mol	logS: 0.36001	SlogP: -1.3362	Reactive groups: 0

Topological Properties
Globularity: 0.0957035	Sterimol/B1: 2.57346	Sterimol/B2: 2.86761	Sterimol/B3: 3.14662
Sterimol/B4: 4.17792	Sterimol/L: 10.8402

Surface and Volume Properties
Accessible surface: 325.939	Positive charged surface: 216.385	Negative charged surface: 109.554	Volume: 130.625
Hydrophobic surface: 71.5949	Hydrophilic surface: 254.3441

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