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MMsINC code: MMs02211211

Type: Neutral
Formula: C₁₀H₁₉NO₆

SMILES:

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

InChI:

InChI=1/C10H19NO6/c1-4(2)9(15)11-6-8(14)7(13)5(3-12)17-10(6)16/h4-8,10,12-14,16H,3H2,1-2H3,(H,11,15)/t5-,6+,7+,8+,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.3682 kcal/mol

Physical Properties
Molecular Weight: 249.263 g/mol	logS: 0.46394	SlogP: -2.4415	Reactive groups: 0

Topological Properties
Globularity: 0.194288	Sterimol/B1: 3.87419	Sterimol/B2: 3.94417	Sterimol/B3: 3.97045
Sterimol/B4: 4.41592	Sterimol/L: 12.8171

Surface and Volume Properties
Accessible surface: 447.989	Positive charged surface: 336.049	Negative charged surface: 111.939	Volume: 224.625
Hydrophobic surface: 211.651	Hydrophilic surface: 236.338

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.