MMsINC Database Search


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MMsINC code: MMs00483926

Type: Neutral
Formula: C₅H₁₀N₂O₃

SMILES:

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

InChI:

InChI=1/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.2597 kcal/mol

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

Topological Properties
Globularity: 0.111498	Sterimol/B1: 2.59075	Sterimol/B2: 2.90701	Sterimol/B3: 3.23056
Sterimol/B4: 4.18408	Sterimol/L: 10.8543

Surface and Volume Properties
Accessible surface: 322.614	Positive charged surface: 211.537	Negative charged surface: 111.077	Volume: 131.125
Hydrophobic surface: 70.5499	Hydrophilic surface: 252.0641

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.