MMsINC Database Search


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MMsINC code: MMs03840656

Type: Neutral
Formula: C₁₁H₂₁NO₇

SMILES:

O1C(CO)C(O)C(O)C(NC(OC(C)(C)C)=O)C1O

InChI:

InChI=1/C11H21NO7/c1-11(2,3)19-10(17)12-6-8(15)7(14)5(4-13)18-9(6)16/h5-9,13-16H,4H2,1-3H3,(H,12,17)/t5-,6+,7+,8-,9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.9741 kcal/mol

Physical Properties
Molecular Weight: 279.289 g/mol	logS: -0.18361	SlogP: -1.689	Reactive groups: 0

Topological Properties
Globularity: 0.152318	Sterimol/B1: 2.48458	Sterimol/B2: 3.33315	Sterimol/B3: 4.80037
Sterimol/B4: 5.63703	Sterimol/L: 13.983

Surface and Volume Properties
Accessible surface: 492.636	Positive charged surface: 373.336	Negative charged surface: 119.301	Volume: 249.625
Hydrophobic surface: 242.105	Hydrophilic surface: 250.531

Pharmacophoric Properties
Hydrogen bond donors: 5	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.