MMsINC Database Search


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MMsINC code: MMs03081409

Type: Neutral
Formula: C₅H₁₀N₂O₄

SMILES:

OC(=O)C(N)CCC(=O)NO

InChI:

InChI=1/C5H10N2O4/c6-3(5(9)10)1-2-4(8)7-11/h3,11H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.2708 kcal/mol

Physical Properties
Molecular Weight: 162.145 g/mol	logS: 0.55662	SlogP: -1.3161	Reactive groups: 0

Topological Properties
Globularity: 0.0749311	Sterimol/B1: 2.57443	Sterimol/B2: 2.82605	Sterimol/B3: 3.11474
Sterimol/B4: 4.1302	Sterimol/L: 12.0055

Surface and Volume Properties
Accessible surface: 346.114	Positive charged surface: 217.485	Negative charged surface: 128.628	Volume: 139.125
Hydrophobic surface: 71.1468	Hydrophilic surface: 274.9672

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	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.