MMsINC Database Search


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MMsINC code: MMs02459685

Type: Neutral
Formula: C₁₂H₂₃NO₆

SMILES:

O1C(COC)C(OC)C(OC)C(NC(=O)C)C1OC

InChI:

InChI=1/C12H23NO6/c1-7(14)13-9-11(17-4)10(16-3)8(6-15-2)19-12(9)18-5/h8-12H,6H2,1-5H3,(H,13,14)/t8-,9-,10+,11-,12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.1677 kcal/mol

Physical Properties
Molecular Weight: 277.317 g/mol	logS: -0.51324	SlogP: -0.4612	Reactive groups: 0

Topological Properties
Globularity: 0.123436	Sterimol/B1: 3.66108	Sterimol/B2: 3.96944	Sterimol/B3: 5.18155
Sterimol/B4: 6.56298	Sterimol/L: 14.1074

Surface and Volume Properties
Accessible surface: 532.318	Positive charged surface: 465.794	Negative charged surface: 66.5244	Volume: 267.5
Hydrophobic surface: 473.328	Hydrophilic surface: 58.99

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 5

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.