MMsINC Database Search


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MMsINC code: MMs02264720

Type: Neutral
Formula: C₆H₁₄N₂O₃

SMILES:

O(CCN(OC)C)C(=O)NC

InChI:

InChI=1/C6H14N2O3/c1-7-6(9)11-5-4-8(2)10-3/h4-5H2,1-3H3,(H,7,9)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=8.91712 kcal/mol

Physical Properties
Molecular Weight: 162.189 g/mol	logS: 0.24456	SlogP: -0.1644	Reactive groups: 1

Topological Properties
Globularity: 0.112091	Sterimol/B1: 3.02198	Sterimol/B2: 3.32997	Sterimol/B3: 3.67578
Sterimol/B4: 4.08203	Sterimol/L: 12.3116

Surface and Volume Properties
Accessible surface: 389.843	Positive charged surface: 351.136	Negative charged surface: 38.7071	Volume: 163
Hydrophobic surface: 319.614	Hydrophilic surface: 70.229

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

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.