MMsINC Database Search


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MMsINC code: MMs03463838

Type: Neutral
Formula: C₁₀H₂₄N₂O₄

SMILES:

OCC(NCCNC(CO)(CO)C)(CO)C

InChI:

InChI=1/C10H24N2O4/c1-9(5-13,6-14)11-3-4-12-10(2,7-15)8-16/h11-16H,3-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.5935 kcal/mol

Physical Properties
Molecular Weight: 236.312 g/mol	logS: 1.03132	SlogP: -2.3478	Reactive groups: 0

Topological Properties
Globularity: 0.0993873	Sterimol/B1: 2.2408	Sterimol/B2: 2.52211	Sterimol/B3: 4.2468
Sterimol/B4: 5.7519	Sterimol/L: 15.0068

Surface and Volume Properties
Accessible surface: 484.896	Positive charged surface: 398.43	Negative charged surface: 86.4665	Volume: 238.125
Hydrophobic surface: 245.692	Hydrophilic surface: 239.204

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03463839
PUBCHEM-ZINC05963450