MMsINC Database Search


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MMsINC code: MMs02251566

Type: Neutral
Formula: C₅H₁₀N₂O₃

SMILES:

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

InChI:

InChI=1/C5H10N2O3/c1-3(9)7-5(10)4(6)2-8/h4,8H,2,6H2,1H3,(H,7,9,10)/t4-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.842 kcal/mol

Physical Properties
Molecular Weight: 146.146 g/mol	logS: 0.3534	SlogP: -2.0313	Reactive groups: 0

Topological Properties
Globularity: 0.0780841	Sterimol/B1: 2.90798	Sterimol/B2: 2.92153	Sterimol/B3: 2.97421
Sterimol/B4: 3.90413	Sterimol/L: 10.7827

Surface and Volume Properties
Accessible surface: 328.463	Positive charged surface: 225.62	Negative charged surface: 102.843	Volume: 132.375
Hydrophobic surface: 142.706	Hydrophilic surface: 185.757

Pharmacophoric Properties
Hydrogen bond donors: 3	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.