MMsINC Database Search


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MMsINC code: MMs03404133

Type: Neutral
Formula: C₁₀H₂₄N₂O₆

SMILES:

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

InChI:

InChI=1/C10H24N2O6/c13-3-9(4-14,5-15)11-1-2-12-10(6-16,7-17)8-18/h11-18H,1-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.761 kcal/mol

Physical Properties
Molecular Weight: 268.31 g/mol	logS: 2.09082	SlogP: -4.403	Reactive groups: 0

Topological Properties
Globularity: 0.0972197	Sterimol/B1: 2.82271	Sterimol/B2: 3.53288	Sterimol/B3: 4.55191
Sterimol/B4: 4.5541	Sterimol/L: 14.9949

Surface and Volume Properties
Accessible surface: 510.091	Positive charged surface: 436.893	Negative charged surface: 73.1983	Volume: 251.375
Hydrophobic surface: 219.907	Hydrophilic surface: 290.184

Pharmacophoric Properties
Hydrogen bond donors: 8	Hydrogen bond acceptors: 8	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: 0

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Ions/Tautomers related molecules

MMs03404134
PUBCHEM-ZINC05828711