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MMsINC code: MMs03099513

Type: Neutral
Formula: C₁₀H₂₀N₂O₃

SMILES:

O1CCN(CC1CN)C(OC(C)(C)C)=O

InChI:

InChI=1/C10H20N2O3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7,11H2,1-3H3/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.1417 kcal/mol

Physical Properties
Molecular Weight: 216.281 g/mol	logS: -0.69841	SlogP: 0.581	Reactive groups: 0

Topological Properties
Globularity: 0.101769	Sterimol/B1: 2.39885	Sterimol/B2: 2.43537	Sterimol/B3: 4.77226
Sterimol/B4: 5.62264	Sterimol/L: 13.9139

Surface and Volume Properties
Accessible surface: 452.759	Positive charged surface: 365.922	Negative charged surface: 86.8369	Volume: 218.25
Hydrophobic surface: 307.817	Hydrophilic surface: 144.942

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs03099514
PUBCHEM-ZINC04203216